N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide

• ChemBase编号: 862935
• 分子式: C15H17N5O2
• 平均质量: 299.32778
• 单一同位素质量: 299.13822481
• SMILES: c1(nnc(o1)CCC)C(=O)N(Cc1n2c(nc1)cccc2)C
• Canonical SMILES: CCCc1nnc(o1)C(=O)N(Cc1cnc2n1cccc2)C
• InChI: InChI=1S/C15H17N5O2/c1-3-6-13-17-18-14(22-13)15(21)19(2)10-11-9-16-12-7-4-5-8-20(11)12/h4-5,7-9H,3,6,10H2,1-2H3
• InChIKey: DDMZPNJMPWPNHB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
• IUPAC传统名: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
• 别名: N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.3095472
• LogD (pH = 7.4): 0.3035774
• Log P: 0.32916996
• 摩尔折射率: 83.3697 cm^3
• 极化性: 30.014585 Å^3
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 1.14
• LOG S: -2.36
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 5