2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-amine

• ChemBase ID: 120571
• Molecular Formular: C15H14N2O
• Molecular Mass: 238.28446
• Monoisotopic Mass: 238.11061308
• SMILES: c1(nc2c(o1)ccc(c2)N)c1cc(cc(c1)C)C
• Canonical SMILES: Nc1ccc2c(c1)nc(o2)c1cc(C)cc(c1)C
• InChI: InChI=1S/C15H14N2O/c1-9-5-10(2)7-11(6-9)15-17-13-8-12(16)3-4-14(13)18-15/h3-8H,16H2,1-2H3
• InChIKey: PHCRBRNKOXAHLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-amine
• IUPAC Traditional name: 2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-amine
• Synonyms: 2-(3,5-dimethylphenyl)benzo[d]oxazol-5-amine

Database IDs

• PubChem SID: 162214924
• PubChem CID: 790683

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.541207
• LogD (pH = 7.4): 3.5425355
• Log P: 3.5425525
• Molar Refractivity: 82.6075 cm^3
• Polarizability: 28.82977 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true