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

• ChemBase编号: 635946
• 分子式: C17H20N4O2
• 平均质量: 312.3663
• 单一同位素质量: 312.1586259
• SMILES: c12n(c(CC(=O)N(Cc3onc(c3)CC)C)cn1)cccc2C
• Canonical SMILES: CCc1noc(c1)CN(C(=O)Cc1cnc2n1cccc2C)C
• InChI: InChI=1S/C17H20N4O2/c1-4-13-8-15(23-19-13)11-20(3)16(22)9-14-10-18-17-12(2)6-5-7-21(14)17/h5-8,10H,4,9,11H2,1-3H3
• InChIKey: OPOYTQULEVCBFW-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.51777905
• LogD (pH = 7.4): 1.260759
• Log P: 1.3120553
• 摩尔折射率: 88.9288 cm^3
• 极化性: 32.813103 Å^3
• 极化表面积: 63.64 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.22
• LOG S: -2.52
• 极化表面积: 63.64 Å^2
• 可自由旋转的化学键: 5