N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-{imidazo[1,2-a]pyridin-2-yl}-N-methylpropanamide

• ChemBase编号: 402630
• 分子式: C19H23N5O2
• 平均质量: 353.41822
• 单一同位素质量: 353.185175
• SMILES: n1c(noc1C1CCCC1)CN(C(=O)CCc1nc2n(c1)cccc2)C
• Canonical SMILES: CN(C(=O)CCc1nc2n(c1)cccc2)Cc1noc(n1)C1CCCC1
• InChI: InChI=1S/C19H23N5O2/c1-23(13-16-21-19(26-22-16)14-6-2-3-7-14)18(25)10-9-15-12-24-11-5-4-8-17(24)20-15/h4-5,8,11-12,14H,2-3,6-7,9-10,13H2,1H3
• InChIKey: VICYBEFQIDNZSI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-{imidazo[1,2-a]pyridin-2-yl}-N-methylpropanamide
• IUPAC传统名: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-{imidazo[1,2-a]pyridin-2-yl}-N-methylpropanamide
• 别名: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-imidazo[1,2-a]pyridin-2-yl-N-methylpropanamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.6402752
• LogD (pH = 7.4): 2.3694336
• Log P: 2.3970528
• 摩尔折射率: 98.8181 cm^3
• 极化性: 36.8266 Å^3
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 1.08
• LOG S: -2.7
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 6