2-(4-phenylphenyl)-1,3-benzoxazol-5-amine

• ChemBase ID: 121437
• Molecular Formular: C19H14N2O
• Molecular Mass: 286.32726
• Monoisotopic Mass: 286.11061308
• SMILES: n1c(oc2c1cc(N)cc2)c1ccc(cc1)c1ccccc1
• Canonical SMILES: Nc1ccc2c(c1)nc(o2)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C19H14N2O/c20-16-10-11-18-17(12-16)21-19(22-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,20H2
• InChIKey: IANOMZFWVQGEPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
• IUPAC Traditional name: 2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
• Synonyms: 2-([1,1'-biphenyl]-4-yl)benzo[d]oxazol-5-amine

Database IDs

• PubChem SID: 162215790
• PubChem CID: 721126

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.161614
• LogD (pH = 7.4): 4.1629186
• Log P: 4.1629353
• Molar Refractivity: 97.6613 cm^3
• Polarizability: 36.389484 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true