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Benzoxazoles

Organic heterocyclic compounds that consist of benzene fused with an oxazoles; oxazoles are azoles with an oxygen atom and a nitrogen atom separated by one carbon.
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1

Chlorzoxazone, TRC

CAS: 95-25-0 Molecular Formula: C7 H4 Cl N O2 Molecular Weight (g/mol): 169.57 Synonym: Chlorzoxazone,2-Benzoxazolinone, 5-chloro- (6CI,7CI,8CI),2-Hydroxy-5-chlorobenzoxazole,5-Chloro-1,3-benzoxazol-2(3H)-one,5-Chloro-2(3H)-benzoxazolone,5-Chloro-2-benzoxazolinone,5-Chloro-2-benzoxazolol,5-Chloro-2-benzoxazolone,5-Chloro-2-hydroxybenzoxazole,5-Chloro-2-oxo-3H-benzoxazole,5-Chloro-3H-benzoxazol-2-one,5-Chlorobenzoxazolidone,5-Chlorobenzoxazolone,Biomioran,Chloroxazone,Chlorzoxazon,Chlorzoxazone,Cipzox,Escoflex,Mioran,Miotran,Myoflexin,Myoflexine,NSC 26189,Neoflex,Paraflex,Parafon Forte DSC,Parfon-forte,Pathorysin,Solaxin,2(3H)-Benzoxazolone, 5-chloro- IUPAC Name: 5-chloro-3H-1,3-benzoxazol-2-one SMILES: Clc1ccc2OC(=O)Nc2c1

CAS 95-25-0
Molecular Weight (g/mol) 169.57
SMILES Clc1ccc2OC(=O)Nc2c1
Synonym Chlorzoxazone,2-Benzoxazolinone, 5-chloro- (6CI,7CI,8CI),2-Hydroxy-5-chlorobenzoxazole,5-Chloro-1,3-benzoxazol-2(3H)-one,5-Chloro-2(3H)-benzoxazolone,5-Chloro-2-benzoxazolinone,5-Chloro-2-benzoxazolol,5-Chloro-2-benzoxazolone,5-Chloro-2-hydroxybenzoxazole,5-Chloro-2-oxo-3H-benzoxazole,5-Chloro-3H-benzoxazol-2-one,5-Chlorobenzoxazolidone,5-Chlorobenzoxazolone,Biomioran,Chloroxazone,Chlorzoxazon,Chlorzoxazone,Cipzox,Escoflex,Mioran,Miotran,Myoflexin,Myoflexine,NSC 26189,Neoflex,Paraflex,Parafon Forte DSC,Parfon-forte,Pathorysin,Solaxin,2(3H)-Benzoxazolone, 5-chloro-
IUPAC Name 5-chloro-3H-1,3-benzoxazol-2-one
Molecular Formula C7 H4 Cl N O2
2

Chlorfenapyr, TRC

CAS: 122453-73-0 Molecular Formula: C15 H11 Br Cl F3 N2 O Molecular Weight (g/mol): 407.61 Synonym: 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile,4-Bromo-2-(p-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile,AC 303-630,AC 303630,Bromchlorfenapyr,CL 303630,Chlorfenapyr,Citrex,Citrex (acaricide),Kotetsu,Lepido,Mystox MP,Phantom,Pirate,Pirate 3F,Pylon,Rampage,Rampage (insecticide),Secure,Secure 360SC Insecticide-Miticide,Stealth IUPAC Name: 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile SMILES: CCOCn1c(c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F

CAS 122453-73-0
Molecular Weight (g/mol) 407.61
SMILES CCOCn1c(c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F
Synonym 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile,4-Bromo-2-(p-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile,AC 303-630,AC 303630,Bromchlorfenapyr,CL 303630,Chlorfenapyr,Citrex,Citrex (acaricide),Kotetsu,Lepido,Mystox MP,Phantom,Pirate,Pirate 3F,Pylon,Rampage,Rampage (insecticide),Secure,Secure 360SC Insecticide-Miticide,Stealth
IUPAC Name 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
Molecular Formula C15 H11 Br Cl F3 N2 O
3

Phosalone, TRC

CAS: 2310-17-0 Molecular Formula: C12 H15 Cl N O4 P S2 Molecular Weight (g/mol): 367.81 Synonym: Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone (7CI,8CI),3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone,6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone,Agria 1060,Benzophosphate,Chipman 11974,Fosalon,Fozolone,KB insectes,NIA 9241,O,O-Diethyl S-[6-chloro-3-(mercaptomethyl)-2-benzoxazolinone]phosphorodithioate,Phosalon,Phosalone,Phosphorodithioic acid O,O-diethyl S-[(6-chloro-2-oxobenzoxazolin-3-yl)methyl] ester,RP 11974,Rubitox,S-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl diethyl phosphorothiolothionate,S-[6-Chloro-3-(mercaptomethyl)-2-benzoxazolinone] O,O-diethyl phosphorodithioate,Zolone,Zolone 35EC,Zolone Flo,Zolone PM,Phosphorodithioic acid, S-[(6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl] O,O-diethyl ester IUPAC Name: 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one SMILES: CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12

CAS 2310-17-0
Molecular Weight (g/mol) 367.81
SMILES CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12
Synonym Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone (7CI,8CI),3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone,6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone,Agria 1060,Benzophosphate,Chipman 11974,Fosalon,Fozolone,KB insectes,NIA 9241,O,O-Diethyl S-[6-chloro-3-(mercaptomethyl)-2-benzoxazolinone]phosphorodithioate,Phosalon,Phosalone,Phosphorodithioic acid O,O-diethyl S-[(6-chloro-2-oxobenzoxazolin-3-yl)methyl] ester,RP 11974,Rubitox,S-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl diethyl phosphorothiolothionate,S-[6-Chloro-3-(mercaptomethyl)-2-benzoxazolinone] O,O-diethyl phosphorodithioate,Zolone,Zolone 35EC,Zolone Flo,Zolone PM,Phosphorodithioic acid, S-[(6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl] O,O-diethyl ester
IUPAC Name 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
Molecular Formula C12 H15 Cl N O4 P S2
4

6-Hydroxy Chlorzoxazone, TRC

CAS: 1750-45-4 Molecular Formula: C7 H4 Cl N O3 Molecular Weight (g/mol): 185.56 Synonym: 2(3H)-Benzoxazolone, 5-chloro-6-hydroxy-,2,6-Benzoxazolediol, 5-chloro- (6CI),2-Benzoxazolinone, 5-chloro-6-hydroxy- (7CI,8CI),6-Hydroxychloroxazone,6-Hydroxychlorzoxazone,6-Hydroxylchlorzoxazone,NSC 24955 IUPAC Name: 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one SMILES: Oc1cc2OC(=O)Nc2cc1Cl

CAS 1750-45-4
Molecular Weight (g/mol) 185.56
SMILES Oc1cc2OC(=O)Nc2cc1Cl
Synonym 2(3H)-Benzoxazolone, 5-chloro-6-hydroxy-,2,6-Benzoxazolediol, 5-chloro- (6CI),2-Benzoxazolinone, 5-chloro-6-hydroxy- (7CI,8CI),6-Hydroxychloroxazone,6-Hydroxychlorzoxazone,6-Hydroxylchlorzoxazone,NSC 24955
IUPAC Name 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
Molecular Formula C7 H4 Cl N O3
5

2-Benzoxazolinone, TRC

CAS: 59-49-4 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.12 Synonym: 1,2-Dihydrobenzoxazol-2-one,1,3-Benzoxazol-2(3H)-one,2(3H)-Benzoxazolinone2,3-Dihydro-1,3-benzoxazol-2-one,2-Benzoxazolol,2-Hydroxybenzoxazole2-Oxo-2,3-dihydrobenzoxazole,Benzo[d]oxazol-2(3H)-one,(2-Hydroxyphenyl)-gamma-lactone Carbamic Acid IUPAC Name: 3H-1,3-benzoxazol-2-one SMILES: O=C1Nc2ccccc2O1

CAS 59-49-4
Molecular Weight (g/mol) 135.12
SMILES O=C1Nc2ccccc2O1
Synonym 1,2-Dihydrobenzoxazol-2-one,1,3-Benzoxazol-2(3H)-one,2(3H)-Benzoxazolinone2,3-Dihydro-1,3-benzoxazol-2-one,2-Benzoxazolol,2-Hydroxybenzoxazole2-Oxo-2,3-dihydrobenzoxazole,Benzo[d]oxazol-2(3H)-one,(2-Hydroxyphenyl)-gamma-lactone Carbamic Acid
IUPAC Name 3H-1,3-benzoxazol-2-one
Molecular Formula C7H5NO2
6

2-(2,2-Diphenylcyclopropyl)-1H-imidazole, TRC

CAS: 85589-36-2 Molecular Formula: C18H16N2 Molecular Weight (g/mol): 260.33 SMILES: C1C(c2ncc[nH]2)C1(c3ccccc3)c4ccccc4

CAS 85589-36-2
Molecular Weight (g/mol) 260.33
SMILES C1C(c2ncc[nH]2)C1(c3ccccc3)c4ccccc4
Molecular Formula C18H16N2
8

3-Ethyl-1,5,6,7-tetrahydro-2-methyl-4H-indol-4-one, TRC

CAS: 6116-76-3 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.24 Synonym: 2-Methyl-3-ethyl-4-oxo-4,5,6,7-tetrahydroindole,NSC 136938 SMILES: CCc1c(C)[nH]c2CCCC(=O)c12

CAS 6116-76-3
Molecular Weight (g/mol) 177.24
SMILES CCc1c(C)[nH]c2CCCC(=O)c12
Synonym 2-Methyl-3-ethyl-4-oxo-4,5,6,7-tetrahydroindole,NSC 136938
Molecular Formula C11H15NO
9

2-Oxo-2,3-dihydrobenzo[d]oxazol-6-ylboronic Acid Pinacol Ester, TRC

CAS: 1105710-32-4 Molecular Formula: C13H16BNO4 Molecular Weight (g/mol): 261.08 Synonym: 2-Oxo-2,3-dihydrobenzoxazole-6-boronic Acid Pinacol Ester IUPAC Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzoxazol-2-one SMILES: CC1(C)OB(OC1(C)C)c2ccc3NC(=O)Oc3c2

CAS 1105710-32-4
Molecular Weight (g/mol) 261.08
SMILES CC1(C)OB(OC1(C)C)c2ccc3NC(=O)Oc3c2
Synonym 2-Oxo-2,3-dihydrobenzoxazole-6-boronic Acid Pinacol Ester
IUPAC Name 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzoxazol-2-one
Molecular Formula C13H16BNO4