2-(3-methyl-1,2-oxazol-5-yl)-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)acetamide

• ChemBase编号: 385561
• 分子式: C15H16N4O2
• 平均质量: 284.31314
• 单一同位素质量: 284.12732577
• SMILES: c12n(c(cn1)CNC(=O)Cc1onc(c1)C)cccc2C
• Canonical SMILES: O=C(Cc1onc(c1)C)NCc1cnc2n1cccc2C
• InChI: InChI=1S/C15H16N4O2/c1-10-4-3-5-19-12(9-17-15(10)19)8-16-14(20)7-13-6-11(2)18-21-13/h3-6,9H,7-8H2,1-2H3,(H,16,20)
• InChIKey: YEAPXAYFOPDRKN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-methyl-1,2-oxazol-5-yl)-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)acetamide
• IUPAC传统名: 2-(3-methyl-1,2-oxazol-5-yl)-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)acetamide
• 别名: N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(3-methylisoxazol-5-yl)acetamide

理论计算性质

JChem

• Acid pKa: 13.654443
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.3748878
• LogD (pH = 7.4): 0.34376
• Log P: 0.3878435
• 摩尔折射率: 79.4052 cm^3
• 极化性: 29.142124 Å^3
• 极化表面积: 72.43 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: 1
• Log P: 0.27
• LOG S: -2.81
• 极化表面积: 72.43 Å^2
• 可自由旋转的化学键: 4