N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,5-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 655709
• 分子式: C15H17N5O2
• 平均质量: 299.32778
• 单一同位素质量: 299.13822481
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)N(Cc1nnc(o1)CC)C
• Canonical SMILES: CCc1nnc(o1)CN(C(=O)c1cn2c(n1)cccc2C)C
• InChI: InChI=1S/C15H17N5O2/c1-4-13-17-18-14(22-13)9-19(3)15(21)11-8-20-10(2)6-5-7-12(20)16-11/h5-8H,4,9H2,1-3H3
• InChIKey: IUEKQOGAMYBHSX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,5-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,5-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,5-dimethylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.2406477
• LogD (pH = 7.4): 0.24557023
• Log P: 0.24563336
• 摩尔折射率: 83.5187 cm^3
• 极化性: 29.935877 Å^3
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 0
• Log P: -0.2
• LOG S: -2.26
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 3