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Isoxazoles

Aromatic organic heterocyclic compounds that consist of an azole with a nitrogen atom and an oxygen atom with the formula: C3H3NO.
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1 – 15 of 46 results
2

4-(Bromomethyl)-3-methyl-5-phenylisoxazole, ≥95%, Thermo Scientific™

CAS: 113841-59-1 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.111 MDL Number: MFCD03086124 InChI Key: KCGVZUOBUPWFJC-UHFFFAOYSA-N PubChem CID: 2776518 IUPAC Name: 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole SMILES: CC1=NOC(=C1CBr)C2=CC=CC=C2

PubChem CID 2776518
CAS 113841-59-1
Molecular Weight (g/mol) 252.111
MDL Number MFCD03086124
SMILES CC1=NOC(=C1CBr)C2=CC=CC=C2
IUPAC Name 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole
InChI Key KCGVZUOBUPWFJC-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
4

Isoxazole-5-carbothioamide, 97%, Thermo Scientific™

CAS: 175334-72-2 Molecular Formula: C4H4N2OS Molecular Weight (g/mol): 128.15 MDL Number: MFCD00276995 InChI Key: CEDRGDFENMZKCQ-UHFFFAOYSA-N Synonym: isoxazole-5-carbothioamide,5-isoxazolecarbothioamide,isoxazole-5-carbothioic acid amide,5-isoxazolecarbothioamide 9ci,aminoisoxazol-5-ylmethane-1-thione PubChem CID: 2799515 IUPAC Name: 1,2-oxazole-5-carbothioamide SMILES: NC(=S)C1=CC=NO1

PubChem CID 2799515
CAS 175334-72-2
Molecular Weight (g/mol) 128.15
MDL Number MFCD00276995
SMILES NC(=S)C1=CC=NO1
Synonym isoxazole-5-carbothioamide,5-isoxazolecarbothioamide,isoxazole-5-carbothioic acid amide,5-isoxazolecarbothioamide 9ci,aminoisoxazol-5-ylmethane-1-thione
IUPAC Name 1,2-oxazole-5-carbothioamide
InChI Key CEDRGDFENMZKCQ-UHFFFAOYSA-N
Molecular Formula C4H4N2OS
5

5-Methylisoxazole-3-carboxylic acid, 97%, Thermo Scientific™

CAS: 3405-77-4 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01318162 InChI Key: BNMPIJWVMVNSRD-UHFFFAOYSA-N Synonym: 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p PubChem CID: 76947 IUPAC Name: 5-methyl-1,2-oxazole-3-carboxylic acid SMILES: CC1=CC(=NO1)C(=O)O

PubChem CID 76947
CAS 3405-77-4
Molecular Weight (g/mol) 127.099
MDL Number MFCD01318162
SMILES CC1=CC(=NO1)C(=O)O
Synonym 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p
IUPAC Name 5-methyl-1,2-oxazole-3-carboxylic acid
InChI Key BNMPIJWVMVNSRD-UHFFFAOYSA-N
Molecular Formula C5H5NO3
6

4-(Bromomethyl)-5-methyl-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 180597-83-5 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.11 MDL Number: MFCD02677680 InChI Key: UICMWXWMCOJBIQ-UHFFFAOYSA-N PubChem CID: 2776147 IUPAC Name: 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole SMILES: CC1=C(CBr)C(=NO1)C1=CC=CC=C1

PubChem CID 2776147
CAS 180597-83-5
Molecular Weight (g/mol) 252.11
MDL Number MFCD02677680
SMILES CC1=C(CBr)C(=NO1)C1=CC=CC=C1
IUPAC Name 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
InChI Key UICMWXWMCOJBIQ-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
8

3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarboxylic acid, 97%, Thermo Scientific™

CAS: 93041-45-3 Molecular Formula: C12H11NO4 Molecular Weight (g/mol): 233.22 MDL Number: MFCD03407357 InChI Key: IKDPECCMAKOJTK-UHFFFAOYSA-N Synonym: 3-4-methoxyphenyl-5-methylisoxazole-4-carboxylic acid,3-4-methoxyphenyl-5-methyl-4-isoxazolecarboxylic acid,3-4-methoxyphenyl-5-methyl-1,2-oxazole-4-carboxylic acid,4-isoxazolecarboxylicacid, 3-4-methoxyphenyl-5-methyl,4-isoxazolecarboxylicacid,3-4-methoxyphenyl-5-methyl,3-4-methoxyphenyl-5-methyl-4-isoxazole carboxylic acid,3-4-methoxyphenyl-5-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-4-methoxyphenyl-5-methyl PubChem CID: 2779764 IUPAC Name: 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: COC1=CC=C(C=C1)C1=NOC(C)=C1C(O)=O

PubChem CID 2779764
CAS 93041-45-3
Molecular Weight (g/mol) 233.22
MDL Number MFCD03407357
SMILES COC1=CC=C(C=C1)C1=NOC(C)=C1C(O)=O
Synonym 3-4-methoxyphenyl-5-methylisoxazole-4-carboxylic acid,3-4-methoxyphenyl-5-methyl-4-isoxazolecarboxylic acid,3-4-methoxyphenyl-5-methyl-1,2-oxazole-4-carboxylic acid,4-isoxazolecarboxylicacid, 3-4-methoxyphenyl-5-methyl,4-isoxazolecarboxylicacid,3-4-methoxyphenyl-5-methyl,3-4-methoxyphenyl-5-methyl-4-isoxazole carboxylic acid,3-4-methoxyphenyl-5-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-4-methoxyphenyl-5-methyl
IUPAC Name 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI Key IKDPECCMAKOJTK-UHFFFAOYSA-N
Molecular Formula C12H11NO4
9

3,4-Dimethylisoxazol-5-amine, 97%, Thermo Scientific™

CAS: 19947-75-2 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD00046081 InChI Key: PYNDWPFZDQONDV-UHFFFAOYSA-N Synonym: 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660 PubChem CID: 88317 IUPAC Name: 3,4-dimethyl-1,2-oxazol-5-amine SMILES: CC1=C(ON=C1C)N

PubChem CID 88317
CAS 19947-75-2
Molecular Weight (g/mol) 112.132
MDL Number MFCD00046081
SMILES CC1=C(ON=C1C)N
Synonym 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660
IUPAC Name 3,4-dimethyl-1,2-oxazol-5-amine
InChI Key PYNDWPFZDQONDV-UHFFFAOYSA-N
Molecular Formula C5H8N2O
10

3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 849066-63-3 Molecular Formula: C9H8N2O4 Molecular Weight (g/mol): 208.173 MDL Number: MFCD01880302 InChI Key: ASBPDKJMOPNMLF-UHFFFAOYSA-N Synonym: 3-methyl-5-5-methylisoxazol-3-yl isoxazole-4-carboxylic acid,3-methyl-5-5-methyl-1,2-oxazol-3-yl-1,2-oxazole-4-carboxylic acid,3,5'-biisoxazole-4'-carboxylicacid, 3',5-dimethyl,maybridge3_007228,3',5-dimethyl-3,5'-biisoxazole-4'-carboxylic acid,3-methyl-5-5-methylisoxazol-3-yl-4-carboxylic acid PubChem CID: 2744621 IUPAC Name: 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid SMILES: CC1=CC(=NO1)C2=C(C(=NO2)C)C(=O)O

PubChem CID 2744621
CAS 849066-63-3
Molecular Weight (g/mol) 208.173
MDL Number MFCD01880302
SMILES CC1=CC(=NO1)C2=C(C(=NO2)C)C(=O)O
Synonym 3-methyl-5-5-methylisoxazol-3-yl isoxazole-4-carboxylic acid,3-methyl-5-5-methyl-1,2-oxazol-3-yl-1,2-oxazole-4-carboxylic acid,3,5'-biisoxazole-4'-carboxylicacid, 3',5-dimethyl,maybridge3_007228,3',5-dimethyl-3,5'-biisoxazole-4'-carboxylic acid,3-methyl-5-5-methylisoxazol-3-yl-4-carboxylic acid
IUPAC Name 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
InChI Key ASBPDKJMOPNMLF-UHFFFAOYSA-N
Molecular Formula C9H8N2O4
11

3-Phenylisoxazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 14442-12-7 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD01936010 InChI Key: YGTFDJRCCBKLDM-UHFFFAOYSA-N Synonym: 3-phenylisoxazole-5-carboxylic acid,3-phenyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-phenyl,3-phenyl-isoxazole-5-carboxylic acid,phenylisoxazolecarboxylicacid,5-carboxy-3-phenylisoxazole,3-phenylisoxazole-5-carboxylic,3-phenyl-5-isoxazolecarboxylicacid,3-phenylisoxazole-5-carboxylicacid,3-phenyl-5-isoxazole carboxylic acid PubChem CID: 737474 IUPAC Name: 3-phenyl-1,2-oxazole-5-carboxylic acid SMILES: C1=CC=C(C=C1)C2=NOC(=C2)C(=O)O

PubChem CID 737474
CAS 14442-12-7
Molecular Weight (g/mol) 189.17
MDL Number MFCD01936010
SMILES C1=CC=C(C=C1)C2=NOC(=C2)C(=O)O
Synonym 3-phenylisoxazole-5-carboxylic acid,3-phenyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-phenyl,3-phenyl-isoxazole-5-carboxylic acid,phenylisoxazolecarboxylicacid,5-carboxy-3-phenylisoxazole,3-phenylisoxazole-5-carboxylic,3-phenyl-5-isoxazolecarboxylicacid,3-phenylisoxazole-5-carboxylicacid,3-phenyl-5-isoxazole carboxylic acid
IUPAC Name 3-phenyl-1,2-oxazole-5-carboxylic acid
InChI Key YGTFDJRCCBKLDM-UHFFFAOYSA-N
Molecular Formula C10H7NO3
12

5-Methyl-4-isoxazolecarbonyl chloride, 97%, Thermo Scientific™

CAS: 67305-24-2 Molecular Formula: C5H4ClNO2 Molecular Weight (g/mol): 145.542 InChI Key: ZKAQPVQEYCFRTK-UHFFFAOYSA-N Synonym: 5-methyl-4-isoxazolecarbonyl chloride,5-methylisoxazole-4-carbonyl chloride,5-methyl-4-isoxazolecarbonylchloride,4-isoxazolecarbonyl chloride, 5-methyl,4-isoxazolecarbonylchloride, 5-methyl,5-methyl-isoxazole-4-carbonyl chloride,acmc-209nyg,methyl-4-isoxazolecarbonyl chloride,4-isoxazolecarbonylchloride,5-methyl PubChem CID: 2759917 IUPAC Name: 5-methyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C=NO1)C(=O)Cl

PubChem CID 2759917
CAS 67305-24-2
Molecular Weight (g/mol) 145.542
SMILES CC1=C(C=NO1)C(=O)Cl
Synonym 5-methyl-4-isoxazolecarbonyl chloride,5-methylisoxazole-4-carbonyl chloride,5-methyl-4-isoxazolecarbonylchloride,4-isoxazolecarbonyl chloride, 5-methyl,4-isoxazolecarbonylchloride, 5-methyl,5-methyl-isoxazole-4-carbonyl chloride,acmc-209nyg,methyl-4-isoxazolecarbonyl chloride,4-isoxazolecarbonylchloride,5-methyl
IUPAC Name 5-methyl-1,2-oxazole-4-carbonyl chloride
InChI Key ZKAQPVQEYCFRTK-UHFFFAOYSA-N
Molecular Formula C5H4ClNO2
14

Isoxazole-5-carboxylic acid, 95%, Thermo Scientific™

CAS: 21169-71-1 Molecular Formula: C4H3NO3 Molecular Weight (g/mol): 113.072 MDL Number: MFCD00156151 InChI Key: MIIQJAUWHSUTIT-UHFFFAOYSA-N Synonym: isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h PubChem CID: 2060599 IUPAC Name: 1,2-oxazole-5-carboxylic acid SMILES: C1=C(ON=C1)C(=O)O

PubChem CID 2060599
CAS 21169-71-1
Molecular Weight (g/mol) 113.072
MDL Number MFCD00156151
SMILES C1=C(ON=C1)C(=O)O
Synonym isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h
IUPAC Name 1,2-oxazole-5-carboxylic acid
InChI Key MIIQJAUWHSUTIT-UHFFFAOYSA-N
Molecular Formula C4H3NO3
15

3-(Bromomethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 130628-75-0 Molecular Formula: C5H6BrNO Molecular Weight (g/mol): 176.01 MDL Number: MFCD02677720 InChI Key: ASGJFGPILHALRC-UHFFFAOYSA-N Synonym: 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle PubChem CID: 2776304 IUPAC Name: 3-(bromomethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CBr)=NO1

PubChem CID 2776304
CAS 130628-75-0
Molecular Weight (g/mol) 176.01
MDL Number MFCD02677720
SMILES CC1=CC(CBr)=NO1
Synonym 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle
IUPAC Name 3-(bromomethyl)-5-methyl-1,2-oxazole
InChI Key ASGJFGPILHALRC-UHFFFAOYSA-N
Molecular Formula C5H6BrNO