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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

5-Fluorobenzoxazole, 97%, Thermo Scientific™

CAS: 221347-71-3 Molecular Formula: C7H4FNO Molecular Weight (g/mol): 137.11 InChI Key: ZRMPAEOUOPNNPZ-UHFFFAOYSA-N Synonym: 5-fluorobenzoxazole,5-fluorobenzo d oxazole,benzoxazole, 5-fluoro,benzoxazole,5-fluoro,pubchem21888,5-fluoranyl-1,3-benzoxazole,benzoxazole, 5-fluoro-9ci PubChem CID: 19937167 IUPAC Name: 5-fluoro-1,3-benzoxazole SMILES: C1=CC2=C(C=C1F)N=CO2

PubChem CID 19937167
CAS 221347-71-3
Molecular Weight (g/mol) 137.11
SMILES C1=CC2=C(C=C1F)N=CO2
Synonym 5-fluorobenzoxazole,5-fluorobenzo d oxazole,benzoxazole, 5-fluoro,benzoxazole,5-fluoro,pubchem21888,5-fluoranyl-1,3-benzoxazole,benzoxazole, 5-fluoro-9ci
IUPAC Name 5-fluoro-1,3-benzoxazole
InChI Key ZRMPAEOUOPNNPZ-UHFFFAOYSA-N
Molecular Formula C7H4FNO
2

6-Chloro-2-benzoxazolethiol, 99%, Thermo Scientific Chemicals

CAS: 22876-20-6 Molecular Formula: C7H4ClNOS Molecular Weight (g/mol): 185.63 MDL Number: MFCD01456482 InChI Key: HAASPZUBSZGCKU-UHFFFAOYSA-N Synonym: 6-chloro-1,3-benzoxazole-2-thiol,6-chloro-2-mercaptobenzoxazole,6-chloro-2-benzoxazolethiol,6-chlorobenzo d oxazole-2-thiol,2-mercapto-6-chlorobenzoxazole,6-chlorobenzoxazole-2 3h-thione,6-chlorobenzo d oxazole-2 3h-thione,6-chloro-benzooxazole-2-thiol,pubchem8714,6-chlorobenzoxazole-2-thiol PubChem CID: 2119214 IUPAC Name: 6-chloro-3H-1,3-benzoxazole-2-thione SMILES: C1=CC2=C(C=C1Cl)OC(=S)N2

PubChem CID 2119214
CAS 22876-20-6
Molecular Weight (g/mol) 185.63
MDL Number MFCD01456482
SMILES C1=CC2=C(C=C1Cl)OC(=S)N2
Synonym 6-chloro-1,3-benzoxazole-2-thiol,6-chloro-2-mercaptobenzoxazole,6-chloro-2-benzoxazolethiol,6-chlorobenzo d oxazole-2-thiol,2-mercapto-6-chlorobenzoxazole,6-chlorobenzoxazole-2 3h-thione,6-chlorobenzo d oxazole-2 3h-thione,6-chloro-benzooxazole-2-thiol,pubchem8714,6-chlorobenzoxazole-2-thiol
IUPAC Name 6-chloro-3H-1,3-benzoxazole-2-thione
InChI Key HAASPZUBSZGCKU-UHFFFAOYSA-N
Molecular Formula C7H4ClNOS
3

6-bromo-1,3-benzoxazol-2(3h)-one, 97%, Thermo Scientific™

CAS: 19932-85-5 Molecular Formula: C7H4BrNO2 Molecular Weight (g/mol): 214.02 MDL Number: MFCD00694727 InChI Key: DDNKJFBQMQOIKI-UHFFFAOYSA-N Synonym: 6-bromobenzo d oxazol-2 3h-one,6-bromo-2-benzoxazolinone,6-bromo-1,3-benzoxazol-2 3h-one,2-benzoxazolinone, 6-bromo,6-bromobenzoxazolinone,2 3h-benzoxazolone, 6-bromo,6-bromo-2 3h-benzoxazolone,cincreasin,6-bromo-2,3-dihydro-1,3-benzoxazol-2-one,6-bromobenzoxazol-2 3h-one PubChem CID: 29859 ChEBI: CHEBI:77861 IUPAC Name: 6-bromo-3H-1,3-benzoxazol-2-one SMILES: BrC1=CC=C2NC(=O)OC2=C1

PubChem CID 29859
CAS 19932-85-5
Molecular Weight (g/mol) 214.02
ChEBI CHEBI:77861
MDL Number MFCD00694727
SMILES BrC1=CC=C2NC(=O)OC2=C1
Synonym 6-bromobenzo d oxazol-2 3h-one,6-bromo-2-benzoxazolinone,6-bromo-1,3-benzoxazol-2 3h-one,2-benzoxazolinone, 6-bromo,6-bromobenzoxazolinone,2 3h-benzoxazolone, 6-bromo,6-bromo-2 3h-benzoxazolone,cincreasin,6-bromo-2,3-dihydro-1,3-benzoxazol-2-one,6-bromobenzoxazol-2 3h-one
IUPAC Name 6-bromo-3H-1,3-benzoxazol-2-one
InChI Key DDNKJFBQMQOIKI-UHFFFAOYSA-N
Molecular Formula C7H4BrNO2
5

6-Aminobenzoxazole, 95%, Thermo Scientific™

CAS: 177492-52-3 Molecular Formula: C7H6N2O Molecular Weight (g/mol): 134.138 MDL Number: MFCD03791187 InChI Key: ZJYIRVSPPOOPCL-UHFFFAOYSA-N Synonym: benzo d oxazol-6-amine,6-aminobenzoxazole,6-benzoxazolamine,benzooxazol-6-ylamine,6-amino-benzoxazole,benzoxazole-6-ylamine,pubchem17704,6-amino-1,3-benzoxazole,# PubChem CID: 584120 IUPAC Name: 1,3-benzoxazol-6-amine SMILES: C1=CC2=C(C=C1N)OC=N2

PubChem CID 584120
CAS 177492-52-3
Molecular Weight (g/mol) 134.138
MDL Number MFCD03791187
SMILES C1=CC2=C(C=C1N)OC=N2
Synonym benzo d oxazol-6-amine,6-aminobenzoxazole,6-benzoxazolamine,benzooxazol-6-ylamine,6-amino-benzoxazole,benzoxazole-6-ylamine,pubchem17704,6-amino-1,3-benzoxazole,#
IUPAC Name 1,3-benzoxazol-6-amine
InChI Key ZJYIRVSPPOOPCL-UHFFFAOYSA-N
Molecular Formula C7H6N2O
6

2,5,6-Trimethylbenzoxazole, 98%, Thermo Scientific™

CAS: 19219-98-8 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.20 MDL Number: MFCD00022849 InChI Key: PDVDINPEWGXOHX-UHFFFAOYSA-N PubChem CID: 87965 IUPAC Name: 2,5,6-trimethyl-1,3-benzoxazole SMILES: CC1=NC2=CC(C)=C(C)C=C2O1

PubChem CID 87965
CAS 19219-98-8
Molecular Weight (g/mol) 161.20
MDL Number MFCD00022849
SMILES CC1=NC2=CC(C)=C(C)C=C2O1
IUPAC Name 2,5,6-trimethyl-1,3-benzoxazole
InChI Key PDVDINPEWGXOHX-UHFFFAOYSA-N
Molecular Formula C10H11NO
7

6-Methylbenzoxazole, 99.5+%, Thermo Scientific Chemicals

CAS: 10531-80-3 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00216937 InChI Key: SZWNDAUMBWLYOQ-UHFFFAOYSA-N Synonym: 6-methylbenzo d oxazole,6-methylbenzoxazole,6-methyl-benzooxazole,benzoxazole, 6-methyl PubChem CID: 2724969 IUPAC Name: 6-methyl-1,3-benzoxazole SMILES: CC1=CC2=C(C=C1)N=CO2

PubChem CID 2724969
CAS 10531-80-3
Molecular Weight (g/mol) 133.15
MDL Number MFCD00216937
SMILES CC1=CC2=C(C=C1)N=CO2
Synonym 6-methylbenzo d oxazole,6-methylbenzoxazole,6-methyl-benzooxazole,benzoxazole, 6-methyl
IUPAC Name 6-methyl-1,3-benzoxazole
InChI Key SZWNDAUMBWLYOQ-UHFFFAOYSA-N
Molecular Formula C8H7NO
8

2,5-Dimethylbenzoxazole, 99%, Thermo Scientific™

CAS: 5676-58-4 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00005773 InChI Key: XVQGFGKAPKEUFT-UHFFFAOYSA-N PubChem CID: 21884 IUPAC Name: 2,5-dimethyl-1,3-benzoxazole SMILES: CC1=CC2=C(C=C1)OC(=N2)C

PubChem CID 21884
CAS 5676-58-4
Molecular Weight (g/mol) 147.177
MDL Number MFCD00005773
SMILES CC1=CC2=C(C=C1)OC(=N2)C
IUPAC Name 2,5-dimethyl-1,3-benzoxazole
InChI Key XVQGFGKAPKEUFT-UHFFFAOYSA-N
Molecular Formula C9H9NO
9

3-Ethyl-2-methylbenzoxazolium iodide, 95%, Thermo Scientific™

CAS: 5260-37-7 Molecular Formula: C10H12INO Molecular Weight (g/mol): 289.12 MDL Number: MFCD00044141 InChI Key: UZWYLWSUBQEUMC-UHFFFAOYSA-M Synonym: 3-ethyl-2-methylbenzoxazolium iodide,3-ethyl-2-methylbenzo d oxazol-3-ium iodide,2-methyl-3-ethylbenzoxazolium iodide,benzoxazolium, 3-ethyl-2-methyl-, iodide,benzoxazolium, 3-ethyl-2-methyl-, iodide 1:1,3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide,3-ethyl-2-methylbenzoxazoliumiodide,acmc-209l0h,ethyl-2-methyl-benzoxazolium iodide,3-ethyl-2-methylbenzoxazolium iodide, technical grade PubChem CID: 21331 IUPAC Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium;iodide SMILES: [I-].CC[N+]1=C(C)OC2=CC=CC=C12

PubChem CID 21331
CAS 5260-37-7
Molecular Weight (g/mol) 289.12
MDL Number MFCD00044141
SMILES [I-].CC[N+]1=C(C)OC2=CC=CC=C12
Synonym 3-ethyl-2-methylbenzoxazolium iodide,3-ethyl-2-methylbenzo d oxazol-3-ium iodide,2-methyl-3-ethylbenzoxazolium iodide,benzoxazolium, 3-ethyl-2-methyl-, iodide,benzoxazolium, 3-ethyl-2-methyl-, iodide 1:1,3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide,3-ethyl-2-methylbenzoxazoliumiodide,acmc-209l0h,ethyl-2-methyl-benzoxazolium iodide,3-ethyl-2-methylbenzoxazolium iodide, technical grade
IUPAC Name 3-ethyl-2-methyl-1,3-benzoxazol-3-ium;iodide
InChI Key UZWYLWSUBQEUMC-UHFFFAOYSA-M
Molecular Formula C10H12INO
10

4-Nitro-2-(trifluoromethyl)benzoxazole, 97%, Thermo Scientific™

CAS: 573759-00-9 Molecular Formula: C8H3F3N2O3 Molecular Weight (g/mol): 232.118 InChI Key: MVYGNYLHXPFQJV-UHFFFAOYSA-N Synonym: 4-nitro-2-trifluoromethyl benzo d oxazole,4-nitro-2-trifluoromethylbenzoxazole,4-nitro-2-trifluoromethyl-1,3-benzoxazole,4-nitro-2-trifluoromethyl benzoxazole,4-nitro-2-trifluoromethyl-benzooxazole PubChem CID: 21875019 IUPAC Name: 4-nitro-2-(trifluoromethyl)-1,3-benzoxazole SMILES: C1=CC(=C2C(=C1)OC(=N2)C(F)(F)F)[N+](=O)[O-]

PubChem CID 21875019
CAS 573759-00-9
Molecular Weight (g/mol) 232.118
SMILES C1=CC(=C2C(=C1)OC(=N2)C(F)(F)F)[N+](=O)[O-]
Synonym 4-nitro-2-trifluoromethyl benzo d oxazole,4-nitro-2-trifluoromethylbenzoxazole,4-nitro-2-trifluoromethyl-1,3-benzoxazole,4-nitro-2-trifluoromethyl benzoxazole,4-nitro-2-trifluoromethyl-benzooxazole
IUPAC Name 4-nitro-2-(trifluoromethyl)-1,3-benzoxazole
InChI Key MVYGNYLHXPFQJV-UHFFFAOYSA-N
Molecular Formula C8H3F3N2O3
11

5-Chlorobenzoxazole-2-thiol, 97%, Thermo Scientific™

CAS: 22876-19-3 Molecular Formula: C7H4ClNOS Molecular Weight (g/mol): 185.625 MDL Number: MFCD00175241 InChI Key: BOBIZYYFYLLRAH-UHFFFAOYSA-N Synonym: 5-chlorobenzo d oxazole-2-thiol,5-chloro-2-mercaptobenzoxazole,5-chloro-1,3-benzoxazole-2-thiol,5-chlorobenzo d oxazole-2 3h-thione,2-mercapto-5-chlorobenzoxazole,5-chlorobenzooxazole-2-thiol,5-chloro-benzooxazole-2-thiol,2 3h-benzoxazolethione, 5-chloro,5-chloro-2-thioxobenzoxazoline,2-benzoxazolethiol, 5-chloro PubChem CID: 708870 IUPAC Name: 5-chloro-3H-1,3-benzoxazole-2-thione SMILES: C1=CC2=C(C=C1Cl)NC(=S)O2

PubChem CID 708870
CAS 22876-19-3
Molecular Weight (g/mol) 185.625
MDL Number MFCD00175241
SMILES C1=CC2=C(C=C1Cl)NC(=S)O2
Synonym 5-chlorobenzo d oxazole-2-thiol,5-chloro-2-mercaptobenzoxazole,5-chloro-1,3-benzoxazole-2-thiol,5-chlorobenzo d oxazole-2 3h-thione,2-mercapto-5-chlorobenzoxazole,5-chlorobenzooxazole-2-thiol,5-chloro-benzooxazole-2-thiol,2 3h-benzoxazolethione, 5-chloro,5-chloro-2-thioxobenzoxazoline,2-benzoxazolethiol, 5-chloro
IUPAC Name 5-chloro-3H-1,3-benzoxazole-2-thione
InChI Key BOBIZYYFYLLRAH-UHFFFAOYSA-N
Molecular Formula C7H4ClNOS
12

2-Methylnaphtho[2,3-d]oxazole, 98%, Thermo Scientific™

CAS: 20686-66-2 Molecular Formula: C12H9NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD00624597 InChI Key: WMIHEWJRNFUVNR-UHFFFAOYSA-N Synonym: 2-methylnaphth 2,3-d oxazole,2-methylnaphtho 2,3-d oxazole,2-methylbenzo f 1,3 benzoxazole,2-methyl-naphtho 2,3-d oxazole,2-methylnaphtho 2,3-d 1,3 oxazole,2-methylbenzo f benzoxazole,pubchem8702 PubChem CID: 140743 IUPAC Name: 2-methylbenzo[f][1,3]benzoxazole SMILES: CC1=NC2=CC3=CC=CC=C3C=C2O1

PubChem CID 140743
CAS 20686-66-2
Molecular Weight (g/mol) 183.21
MDL Number MFCD00624597
SMILES CC1=NC2=CC3=CC=CC=C3C=C2O1
Synonym 2-methylnaphth 2,3-d oxazole,2-methylnaphtho 2,3-d oxazole,2-methylbenzo f 1,3 benzoxazole,2-methyl-naphtho 2,3-d oxazole,2-methylnaphtho 2,3-d 1,3 oxazole,2-methylbenzo f benzoxazole,pubchem8702
IUPAC Name 2-methylbenzo[f][1,3]benzoxazole
InChI Key WMIHEWJRNFUVNR-UHFFFAOYSA-N
Molecular Formula C12H9NO
13

5-Methyl-2(3H)-benzoxazolethione, 97%, Thermo Scientific™

CAS: 22876-22-8 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00052492 InChI Key: SSWZUOXLFTXIEZ-UHFFFAOYSA-N Synonym: 2-mercapto-5-methylbenzoxazole,5-methyl-1,3-benzoxazole-2-thiol,5-methylbenzo d oxazole-2 3h-thione,5-methylbenzo d oxazole-2-thiol,5-methylbenzoxazoline-2-thione,5-methyl-1,3-benzoxazole-2 3h-thione,5-methyl-2 3h-benzoxazolethione,5-methyl-2-mercaptobenzoxazole,5-methyl-2,3-dihydro-1,3-benzoxazole-2-thione,2 3h-benzoxazolethione, 5-methyl PubChem CID: 710258 IUPAC Name: 5-methyl-3H-1,3-benzoxazole-2-thione SMILES: CC1=CC2=C(C=C1)OC(=S)N2

PubChem CID 710258
CAS 22876-22-8
Molecular Weight (g/mol) 165.21
MDL Number MFCD00052492
SMILES CC1=CC2=C(C=C1)OC(=S)N2
Synonym 2-mercapto-5-methylbenzoxazole,5-methyl-1,3-benzoxazole-2-thiol,5-methylbenzo d oxazole-2 3h-thione,5-methylbenzo d oxazole-2-thiol,5-methylbenzoxazoline-2-thione,5-methyl-1,3-benzoxazole-2 3h-thione,5-methyl-2 3h-benzoxazolethione,5-methyl-2-mercaptobenzoxazole,5-methyl-2,3-dihydro-1,3-benzoxazole-2-thione,2 3h-benzoxazolethione, 5-methyl
IUPAC Name 5-methyl-3H-1,3-benzoxazole-2-thione
InChI Key SSWZUOXLFTXIEZ-UHFFFAOYSA-N
Molecular Formula C8H7NOS