3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methyl-N-(2-phenylethyl)propanamide

• ChemBase ID: 566917
• Molecular Formular: C23H27N3O3
• Molecular Mass: 393.47878
• Monoisotopic Mass: 393.20524174
• SMILES: n1nc(oc1CCc1ccc(cc1)OC)CCC(=O)N(CCc1ccccc1)C
• Canonical SMILES: COc1ccc(cc1)CCc1nnc(o1)CCC(=O)N(CCc1ccccc1)C
• InChI: InChI=1S/C23H27N3O3/c1-26(17-16-18-6-4-3-5-7-18)23(27)15-14-22-25-24-21(29-22)13-10-19-8-11-20(28-2)12-9-19/h3-9,11-12H,10,13-17H2,1-2H3
• InChIKey: BRNVIWPKMAFHIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methyl-N-(2-phenylethyl)propanamide
• IUPAC Traditional name: 3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methyl-N-(2-phenylethyl)propanamide
• Synonyms: 3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methyl-N-(2-phenylethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8004587
• LogD (pH = 7.4): 2.800459
• Log P: 2.800459
• Molar Refractivity: 113.5276 cm^3
• Polarizability: 42.924862 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.6
• LOG S: -4.93
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 9