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

• ChemBase编号: 859586
• 分子式: C22H24FN3O3
• 平均质量: 397.4426632
• 单一同位素质量: 397.18016986
• SMILES: n1nc(oc1CCc1cc(OC)ccc1)CCC(=O)N(Cc1ccc(F)cc1)C
• Canonical SMILES: COc1cccc(c1)CCc1nnc(o1)CCC(=O)N(Cc1ccc(cc1)F)C
• InChI: InChI=1S/C22H24FN3O3/c1-26(15-17-6-9-18(23)10-7-17)22(27)13-12-21-25-24-20(29-21)11-8-16-4-3-5-19(14-16)28-2/h3-7,9-10,14H,8,11-13,15H2,1-2H3
• InChIKey: GZODFWXGXFZPLX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-fluorophenyl)methyl]-3-{5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide
• IUPAC传统名: N-[(4-fluorophenyl)methyl]-3-{5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide
• 别名: N-(4-fluorobenzyl)-3-{5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.6544995
• LogD (pH = 7.4): 2.6544995
• Log P: 2.6544995
• 摩尔折射率: 108.989 cm^3
• 极化性: 40.770523 Å^3
• 极化表面积: 68.46 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 1.41
• LOG S: -4.9
• 极化表面积: 68.46 Å^2
• 可自由旋转的化学键: 8