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

• ChemBase编号: 789997
• 分子式: C19H18ClN5O
• 平均质量: 367.83212
• 单一同位素质量: 367.1199879
• SMILES: n12c(c(nc1ccc(c2)Cl)C)CN(Cc1oc(nn1)c1ccccc1)C
• Canonical SMILES: CN(Cc1c(C)nc2n1cc(Cl)cc2)Cc1nnc(o1)c1ccccc1
• InChI: InChI=1S/C19H18ClN5O/c1-13-16(25-10-15(20)8-9-17(25)21-13)11-24(2)12-18-22-23-19(26-18)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
• InChIKey: DCATYBQYMCACQK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)(methyl)[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amine
• IUPAC传统名: ({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)(methyl)[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amine
• 别名: 1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-N-methyl-N-[(5-phenyl-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): 0.87044805
• LogD (pH = 7.4): 2.088746
• Log P: 2.1602118
• 摩尔折射率: 113.7197 cm^3
• 极化性: 38.954353 Å^3
• 极化表面积: 59.46 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: 5
• 质子供体: 0
• Log P: 2.15
• LOG S: -2.71
• 极化表面积: 59.46 Å^2
• 可自由旋转的化学键: 5