N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-phenylphenyl)acetamide

• ChemBase ID: 678797
• Molecular Formular: C20H20N2O2
• Molecular Mass: 320.385
• Monoisotopic Mass: 320.15247789
• SMILES: c1(onc(c1)C)CN(C(=O)Cc1ccc(c2ccccc2)cc1)C
• Canonical SMILES: O=C(N(Cc1onc(c1)C)C)Cc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C20H20N2O2/c1-15-12-19(24-21-15)14-22(2)20(23)13-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3
• InChIKey: NCUQKOZFPDLZKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-phenylphenyl)acetamide
• IUPAC Traditional name: N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-phenylphenyl)acetamide
• Synonyms: 2-biphenyl-4-yl-N-methyl-N-[(3-methylisoxazol-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0390143
• LogD (pH = 7.4): 3.0390186
• Log P: 3.0390189
• Molar Refractivity: 94.641 cm^3
• Polarizability: 37.203793 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.85
• LOG S: -3.97
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5