(5-phenyl-1,3-oxazol-2-yl)methanamine

• ChemBase ID: 256454
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1(oc(nc1)CN)c1ccccc1
• Canonical SMILES: NCc1ncc(o1)c1ccccc1
• InChI: InChI=1S/C10H10N2O/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8/h1-5,7H,6,11H2
• InChIKey: YAWUPQZCCORVHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-phenyl-1,3-oxazol-2-yl)methanamine
• IUPAC Traditional name: (5-phenyl-1,3-oxazol-2-yl)methanamine
• Synonyms: (5-phenyl-1,3-oxazol-2-yl)methylamine

Database IDs

• MDL Number: MFCD09884217
• PubChem SID: 164312364
• PubChem CID: 20144944

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1372244
• LogD (pH = 7.4): 0.40994766
• Log P: 0.68129855
• Molar Refractivity: 49.5815 cm^3
• Polarizability: 20.658213 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): 0.871

Product Information

• Purity: 95%