4-phenyl-1,3-oxazol-2-amine

• ChemBase ID: 813728
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: o1c(nc(c1)c1ccccc1)N
• Canonical SMILES: Nc1occ(n1)c1ccccc1
• InChI: InChI=1S/C9H8N2O/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)
• InChIKey: FXRWCCOADRNYMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-1,3-oxazol-2-amine
• IUPAC Traditional name: 4-phenyl-1,3-oxazol-2-amine
• Synonyms: 4-phenyloxazol-2-amine

Database IDs

• CAS Number: 33119-65-2

CALCULATED PROPERTIES

• Acid pKa: 14.074247
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8034538
• LogD (pH = 7.4): 1.8035358
• Log P: 1.8035369
• Molar Refractivity: 45.7053 cm^3
• Polarizability: 18.40909 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%