methyl[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine

• ChemBase编号: 717743
• 分子式: C14H17N5O
• 平均质量: 271.31768
• 单一同位素质量: 271.14331019
• SMILES: c1(n2c(nc1C)cccc2)CN(Cc1nnc(o1)C)C
• Canonical SMILES: CN(Cc1c(C)nc2n1cccc2)Cc1nnc(o1)C
• InChI: InChI=1S/C14H17N5O/c1-10-12(19-7-5-4-6-13(19)15-10)8-18(3)9-14-17-16-11(2)20-14/h4-7H,8-9H2,1-3H3
• InChIKey: FQYHKMDLSOSNOH-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.3518059
• LogD (pH = 7.4): -0.38601506
• Log P: -0.3455385
• 摩尔折射率: 78.254 cm^3
• 极化性: 28.572859 Å^3
• 极化表面积: 59.46 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: 5
• 质子供体: 0
• Log P: 1.43
• LOG S: -1.39
• 极化表面积: 59.46 Å^2
• 可自由旋转的化学键: 4