2-(1,3-oxazol-5-yl)aniline

• ChemBase ID: 91184
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: Nc1ccccc1c1cnco1
• Canonical SMILES: Nc1ccccc1c1cnco1
• InChI: InChI=1S/C9H8N2O/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H,10H2
• InChIKey: UZPQWOKKMYUKNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-oxazol-5-yl)aniline
• IUPAC Traditional name: 2-(1,3-oxazol-5-yl)aniline
• Synonyms: 5-(2-Aminophenyl)-1,3-oxazole; 2-(1,3-Oxazol-5-yl)aniline 97%; 2-(1,3-oxazol-5-yl)aniline

Database IDs

• CAS Number: 774238-36-7
• MDL Number: MFCD07772822
• PubChem SID: 162077888
• PubChem CID: 7162068

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6528677
• LogD (pH = 7.4): 0.6534305
• Log P: 0.65343773
• Molar Refractivity: 46.4815 cm^3
• Polarizability: 18.412672 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 90%