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

• ChemBase编号: 347398
• 分子式: C14H15N5O3
• 平均质量: 301.3006
• 单一同位素质量: 301.11748937
• SMILES: c1(nnc(o1)COC)C(=O)N(Cc1n2c(nc1)cccc2)C
• Canonical SMILES: COCc1nnc(o1)C(=O)N(Cc1cnc2n1cccc2)C
• InChI: InChI=1S/C14H15N5O3/c1-18(14(20)13-17-16-12(22-13)9-21-2)8-10-7-15-11-5-3-4-6-19(10)11/h3-7H,8-9H2,1-2H3
• InChIKey: GNWMPGOLFPYXPX-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

Provided by Chembridge

• Log P: -0.08
• LOG S: -2.64
• 极化表面积: 85.76 Å^2
• 可自由旋转的化学键: 5
• 质子受体: 6
• 质子供体: 0

JChem

• 摩尔折射率: 80.5952 cm^3
• 极化性: 28.99269 Å^3
• 极化表面积: 85.76 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -1.6287732
• LogD (pH = 7.4): -1.0156486
• Log P: -0.9900561