N,2,6-trimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 395021
• 分子式: C20H19N5O2
• 平均质量: 361.39716
• 单一同位素质量: 361.15387487
• SMILES: c1(n2c(nc1C)ccc(c2)C)C(=O)N(Cc1nc(on1)c1ccccc1)C
• Canonical SMILES: Cc1ccc2n(c1)c(c(n2)C)C(=O)N(Cc1noc(n1)c1ccccc1)C
• InChI: InChI=1S/C20H19N5O2/c1-13-9-10-17-21-14(2)18(25(17)11-13)20(26)24(3)12-16-22-19(27-23-16)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
• InChIKey: FTFBDLBVJTXURX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,2,6-trimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: N,2,6-trimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
• 别名: N,2,6-trimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.7131038
• LogD (pH = 7.4): 2.832729
• Log P: 2.8345006
• 摩尔折射率: 114.1594 cm^3
• 极化性: 38.322155 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: 5
• 质子供体: 0
• Log P: 2.42
• LOG S: -3.9
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 4