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

• ChemBase ID: 272260
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: c1(ncco1)c1cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)c1ncco1
• InChI: InChI=1S/C9H8N2O/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-6H,10H2
• InChIKey: PMLOUCFXSMIGQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1,3-oxazol-2-yl)aniline
• IUPAC Traditional name: 3-(1,3-oxazol-2-yl)aniline
• Synonyms: 3-(1,3-oxazol-2-yl)aniline

Database IDs

• MDL Number: MFCD14657178
• PubChem SID: 164328170
• PubChem CID: 12371741

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.108904
• LogD (pH = 7.4): 1.1109552
• Log P: 1.1109815
• Molar Refractivity: 56.5694 cm^3
• Polarizability: 17.72235 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61 - 63°C
• Hydrophobicity(logP): 0.872

Product Information

• Purity: 95%