Benzoxazoles

Alfa Aesar™ 2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene, 99%

CAS: 7128-64-5 Molecular Formula: C26H26N2O2S Molecular Weight (g/mol): 430.566 MDL Number: MFCD00005774 InChI Key: AIXZBGVLNVRQSS-UHFFFAOYSA-N Synonym: 2,2'-2,5-thiophenediyl bis 5-tert-butylbenzoxazole PubChem CID: 292429 IUPAC Name: 5-tert-butyl-2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole SMILES: CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(S3)C4=NC5=C(O4)C=CC(=C5)C(C)(C)C

Alfa Aesar™ 4-Nitro-2-(trifluoromethyl)benzoxazole, 97%

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 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-]

Benzoxazole 99+%, ACROS Organics™

CAS: 273-53-0 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.12 MDL Number: MFCD00005765 InChI Key: BCMCBBGGLRIHSE-UHFFFAOYSA-N Synonym: 1-oxa-3-aza-1h-indene PubChem CID: 9228 ChEBI: CHEBI:38814 IUPAC Name: 1,3-benzoxazole SMILES: C1=CC=C2C(=C1)N=CO2

2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene 98.0+%, TCI America™

CAS: 7128-64-5 Molecular Formula: C26H26N2O2S Molecular Weight (g/mol): 430.566 MDL Number: MFCD00005774 InChI Key: AIXZBGVLNVRQSS-UHFFFAOYSA-N Synonym: 2,2'-2,5-thiophenediyl bis 5-tert-butylbenzoxazole PubChem CID: 292429 IUPAC Name: 5-tert-butyl-2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole SMILES: CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(S3)C4=NC5=C(O4)C=CC(=C5)C(C)(C)C

Benzoxazole 98.0+%, TCI America™

CAS: 273-53-0 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 MDL Number: MFCD00005765 InChI Key: BCMCBBGGLRIHSE-UHFFFAOYSA-N Synonym: 1-oxa-3-aza-1h-indene PubChem CID: 9228 ChEBI: CHEBI:38814 IUPAC Name: 1,3-benzoxazole SMILES: C1=CC=C2C(=C1)N=CO2

A23187, free acid, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 52665-69-7 Molecular Formula: C29H37N3O6 Molecular Weight (g/mol): 523.63 InChI Key: HIYAVKIYRIFSCZ-MVEUKLNNSA-N Synonym: 4-benzoxazolecarboxylic acid, 5-methylamino-2-3,9,11-trimethyl-8-1-methyl-2-oxo-2-1h-pyrrol-2-yl ethyl-1,7-dioxaspiro 5.5 undec-2-yl methyl-, 6s-6alpha 2s*,3s* ,8beta r* ,9beta,11alpha PubChem CID: 97043288 IUPAC Name: 5-(methylamino)-2-[[(2R,3S,5S,6S,8S,9S)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

A23187, 98%, free acid, ACROS Organics™

CAS: 52665-69-7 Molecular Formula: C29H37N3O6 Molecular Weight (g/mol): 523.63 MDL Number: MFCD00151202 InChI Key: HIYAVKIYRIFSCZ-MVEUKLNNSA-N PubChem CID: 97043288 IUPAC Name: 5-(methylamino)-2-[[(2R,3S,5S,6S,8S,9S)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

Alfa Aesar™ Antibiotic A23187, 98%

CAS: 52665-69-7 Molecular Formula: C29H37N3O6 Molecular Weight (g/mol): 523.63 MDL Number: MFCD00151202 InChI Key: HIYAVKIYRIFSCZ-MVEUKLNNSA-N Synonym: Calcimycin; Calcium ionophore A23187 PubChem CID: 97043288 IUPAC Name: 5-(methylamino)-2-[[(2R,3S,5S,6S,8S,9S)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

Alfa Aesar™ 5-Bromobenzoxazole-2-thiol, 97%

CAS: 439607-87-1 Molecular Formula: C7H4BrNOS Molecular Weight (g/mol): 230.079 MDL Number: MFCD08447020 InChI Key: YFFBNUPHVZYFQL-UHFFFAOYSA-N Synonym: 5-bromo-1,3-benzoxazole-2 3h-thione PubChem CID: 10633197 IUPAC Name: 5-bromo-3H-1,3-benzoxazole-2-thione SMILES: C1=CC2=C(C=C1Br)NC(=S)O2

Alfa Aesar™ 6-Bromo-2(3H)-benzoxazolone, 97%

CAS: 19932-85-5 Molecular Formula: C7H4BrNO2 Molecular Weight (g/mol): 214.018 MDL Number: MFCD00694727 InChI Key: DDNKJFBQMQOIKI-UHFFFAOYSA-N Synonym: 2 3h-benzoxazolone, 6-bromo PubChem CID: 29859 ChEBI: CHEBI:77861 IUPAC Name: 6-bromo-3H-1,3-benzoxazol-2-one SMILES: C1=CC2=C(C=C1Br)OC(=O)N2

Alfa Aesar™ 2-Methyl-6-nitrobenzoxazole, 98%

CAS: 5683-43-2 Molecular Formula: C8H6N2O3 Molecular Weight (g/mol): 178.147 MDL Number: MFCD00022848 InChI Key: DPVZLXWUFYMLBK-UHFFFAOYSA-N Synonym: 2-methyl-6-nitro-benzoxazole PubChem CID: 79766 IUPAC Name: 2-methyl-6-nitro-1,3-benzoxazole SMILES: CC1=NC2=C(O1)C=C(C=C2)[N+](=O)[O-]

2-Chlorobenzoxazole 99%, ACROS Organics™

CAS: 615-18-9 Molecular Formula: C7H4ClNO Molecular Weight (g/mol): 153.57 MDL Number: MFCD00005766 InChI Key: BBVQDWDBTWSGHQ-UHFFFAOYSA-N Synonym: 2-chloro benzoxazole PubChem CID: 11986 IUPAC Name: 2-chloro-1,3-benzoxazole SMILES: C1=CC=C2C(=C1)N=C(O2)Cl

Methyle2-methyl-1,3-benzoxazole-5-carboxylate, 97%, ACROS Organics™

CAS: 136663-21-3 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.19 MDL Number: MFCD07774245 InChI Key: UFLDNRAXHGPDOD-UHFFFAOYSA-N Synonym: 2-methylbenzoxazole-5-carboxylic acid methyl ester PubChem CID: 12157466 IUPAC Name: methyl 2-methyl-1,3-benzoxazole-5-carboxylate SMILES: CC1=NC2=C(O1)C=CC(=C2)C(=O)OC

Alfa Aesar™ 3-Ethyl-2-methylbenzoxazolium iodide, 95%

CAS: 5260-37-7 Molecular Formula: C10H12INO Molecular Weight (g/mol): 289.116 MDL Number: MFCD00044141 InChI Key: UZWYLWSUBQEUMC-UHFFFAOYSA-M Synonym: 2-methyl-3-ethylbenzoxazolium iodide PubChem CID: 21331 IUPAC Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium;iodide SMILES: CC[N+]1=C(OC2=CC=CC=C21)C.[I-]

Alfa Aesar™ 2,5-Dimethylbenzoxazole, 99%

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

Alfa Aesar™ 5-Fluorobenzoxazole-2-thiol, 97%

CAS: 13451-78-0 Molecular Formula: C7H4FNOS Molecular Weight (g/mol): 169.173 MDL Number: MFCD08447021 InChI Key: UVHVJSJZCPFGET-UHFFFAOYSA-N Synonym: 2 3h-benzoxazolethione,5-fluoro PubChem CID: 10797208 IUPAC Name: 5-fluoro-3H-1,3-benzoxazole-2-thione SMILES: C1=CC2=C(C=C1F)NC(=S)O2

5-Fluorobenzoxazole, 97%, Acros Organics™

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

Alfa Aesar™ 2-Methylbenzoxazole, 98%

CAS: 95-21-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005771 InChI Key: DQSHFKPKFISSNM-UHFFFAOYSA-N Synonym: 2-methyl-4,5-benzoxazole PubChem CID: 7225 ChEBI: CHEBI:51603 IUPAC Name: 2-methyl-1,3-benzoxazole SMILES: CC1=NC2=CC=CC=C2O1

Alfa Aesar™ 5-Methyl-2(3H)-benzoxazolethione, 97%

CAS: 22876-22-8 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00052492 InChI Key: SSWZUOXLFTXIEZ-UHFFFAOYSA-N Synonym: 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

Alfa Aesar™ 5-Methylbenzoxazole, 99%

CAS: 10531-78-9 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00216938 InChI Key: UBIAVBGIRDRQLD-UHFFFAOYSA-N Synonym: 5-methyl-benzoxazole PubChem CID: 2724970 IUPAC Name: 5-methyl-1,3-benzoxazole SMILES: CC1=CC2=C(C=C1)OC=N2

6-Chloro-2-benzoxazolethiol, 99%, ACROS Organics™

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

Alfa Aesar™ 6-Aminobenzoxazole, 95%

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

Alfa Aesar™ 5-Chlorobenzoxazole, 95%

CAS: 17200-29-2 Molecular Formula: C7H4ClNO Molecular Weight (g/mol): 153.565 MDL Number: MFCD00216939 InChI Key: VWMQXAYLHOSRKA-UHFFFAOYSA-N Synonym: 5-chlorobenzo d oxazole PubChem CID: 28398 IUPAC Name: 5-chloro-1,3-benzoxazole SMILES: C1=CC2=C(C=C1Cl)N=CO2

2-Methylnaphtho[2,3-d]oxazole, 98%, Alfa Aesar™

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

6-Methylbenzoxazole, 99.5+%, ACROS Organics™

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

2-Amino-5-chlorobenzoxazole 97%, ACROS Organics™

CAS: 61-80-3 Molecular Formula: C7H5ClN2O Molecular Weight (g/mol): 168.58 MDL Number: MFCD00005770 InChI Key: YGCODSQDUUUKIV-UHFFFAOYSA-N Synonym: 2-amino-5-chlorobenzoxazole PubChem CID: 6103 ChEBI: CHEBI:35053 IUPAC Name: 5-chloro-1,3-benzoxazol-2-amine SMILES: C1=CC2=C(C=C1Cl)N=C(O2)N

Alfa Aesar™ 2-Mercaptobenzoxazole, 98+%

CAS: 2382-96-9 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.183 MDL Number: MFCD00005769 InChI Key: FLFWJIBUZQARMD-UHFFFAOYSA-N Synonym: 1,3-benzoxazole-2-thiol PubChem CID: 712377 IUPAC Name: 3H-1,3-benzoxazole-2-thione SMILES: C1=CC=C2C(=C1)NC(=S)O2

2-(Chloromethyl)-1,3-benzoxazole, 97%, Acros Organics™

CAS: 41014-43-1 Molecular Formula: C8H6ClNO Molecular Weight (g/mol): 167.592 InChI Key: ANRDUCQCZKLSGF-UHFFFAOYSA-N Synonym: 2-chloromethyl benzo d oxazole PubChem CID: 2061989 IUPAC Name: 2-(chloromethyl)-1,3-benzoxazole SMILES: C1=CC=C2C(=C1)N=C(O2)CCl

2-Methyl-1,3-benzoxazol-4-amine, 97%, Maybridge

CAS: 342897-54-5 Molecular Formula: C8H8N2O Molecular Weight (g/mol): 148.165 InChI Key: OEULNBJKLTXMSN-UHFFFAOYSA-N Synonym: 2-methyl-4-aminobenzoxazole PubChem CID: 10606897 IUPAC Name: 2-methyl-1,3-benzoxazol-4-amine SMILES: CC1=NC2=C(C=CC=C2O1)N

Alfa Aesar™ 2-Chlorobenzoxazole, 99%

CAS: 615-18-9 Molecular Formula: C7H4ClNO Molecular Weight (g/mol): 153.565 MDL Number: MFCD00005766 InChI Key: BBVQDWDBTWSGHQ-UHFFFAOYSA-N Synonym: 2-chloro benzoxazole PubChem CID: 11986 IUPAC Name: 2-chloro-1,3-benzoxazole SMILES: C1=CC=C2C(=C1)N=C(O2)Cl

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