N-ethyl-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}acetamide

• ChemBase编号: 604267
• 分子式: C19H25N5O2
• 平均质量: 355.4341
• 单一同位素质量: 355.20082507
• SMILES: c12n(c(CC(=O)N(Cc3nc(on3)CC(C)C)CC)cn1)cccc2C
• Canonical SMILES: CCN(C(=O)Cc1cnc2n1cccc2C)Cc1noc(n1)CC(C)C
• InChI: InChI=1S/C19H25N5O2/c1-5-23(12-16-21-17(26-22-16)9-13(2)3)18(25)10-15-11-20-19-14(4)7-6-8-24(15)19/h6-8,11,13H,5,9-10,12H2,1-4H3
• InChIKey: CPSLQHZQFRLTSH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}acetamide
• IUPAC传统名: N-ethyl-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}acetamide
• 别名: N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.7517761
• LogD (pH = 7.4): 2.5414617
• Log P: 2.593845
• 摩尔折射率: 101.4835 cm^3
• 极化性: 37.47066 Å^3
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 1.82
• LOG S: -3.35
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 7