3-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-3-phenylpropanamide

• ChemBase ID: 602317
• Molecular Formular: C21H22N2O3
• Molecular Mass: 350.41098
• Monoisotopic Mass: 350.16304257
• SMILES: C(=O)(CC(c1ccc(cc1)OC)c1ccccc1)N(Cc1nocc1)C
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1)CC(=O)N(Cc1nocc1)C
• InChI: InChI=1S/C21H22N2O3/c1-23(15-18-12-13-26-22-18)21(24)14-20(16-6-4-3-5-7-16)17-8-10-19(25-2)11-9-17/h3-13,20H,14-15H2,1-2H3
• InChIKey: LUQMKBFWNYIXCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-3-phenylpropanamide
• IUPAC Traditional name: 3-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-3-phenylpropanamide
• Synonyms: N-(3-isoxazolylmethyl)-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1296144
• LogD (pH = 7.4): 3.1296146
• Log P: 3.1296146
• Molar Refractivity: 100.2214 cm^3
• Polarizability: 38.424595 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.4
• LOG S: -3.69
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6