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

• ChemBase ID: 865820
• Molecular Formular: C23H27N3O4
• Molecular Mass: 409.47818
• Monoisotopic Mass: 409.20015636
• SMILES: n1nc(oc1CCc1ccc(cc1)OC)CCC(=O)N(CCOc1ccccc1)C
• Canonical SMILES: COc1ccc(cc1)CCc1nnc(o1)CCC(=O)N(CCOc1ccccc1)C
• InChI: InChI=1S/C23H27N3O4/c1-26(16-17-29-20-6-4-3-5-7-20)23(27)15-14-22-25-24-21(30-22)13-10-18-8-11-19(28-2)12-9-18/h3-9,11-12H,10,13-17H2,1-2H3
• InChIKey: OBVGRKLSVNWRHM-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-phenoxyethyl)propanamide
• IUPAC Traditional name: 3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methyl-N-(2-phenoxyethyl)propanamide
• Synonyms: 3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methyl-N-(2-phenoxyethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.431374
• LogD (pH = 7.4): 2.431374
• Log P: 2.431374
• Molar Refractivity: 114.7122 cm^3
• Polarizability: 43.61334 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.86
• LOG S: -4.48
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 10