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

• ChemBase编号: 610272
• 分子式: C21H20N4O2
• 平均质量: 360.4091
• 单一同位素质量: 360.1586259
• SMILES: c1(n2c(nc1C)ccc(c2)C)C(=O)N(Cc1cc(no1)c1ccccc1)C
• Canonical SMILES: Cc1ccc2n(c1)c(c(n2)C)C(=O)N(Cc1onc(c1)c1ccccc1)C
• InChI: InChI=1S/C21H20N4O2/c1-14-9-10-19-22-15(2)20(25(19)12-14)21(26)24(3)13-17-11-18(23-27-17)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
• InChIKey: CKRVRMDYPRHUJH-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.5440807
• LogD (pH = 7.4): 2.662671
• Log P: 2.66443
• 摩尔折射率: 105.0147 cm^3
• 极化性: 39.86261 Å^3
• 极化表面积: 63.64 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: 4
• 质子供体: 0
• Log P: 3.05
• LOG S: -4.43
• 极化表面积: 63.64 Å^2
• 可自由旋转的化学键: 4