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

• ChemBase编号: 323932
• 分子式: C17H20N4O
• 平均质量: 296.3669
• 单一同位素质量: 296.16371128
• SMILES: c1(n2c(nc1C)cccc2)CN(Cc1noc(c1)C1CC1)C
• Canonical SMILES: CN(Cc1c(C)nc2n1cccc2)Cc1noc(c1)C1CC1
• InChI: InChI=1S/C17H20N4O/c1-12-15(21-8-4-3-5-17(21)18-12)11-20(2)10-14-9-16(22-19-14)13-6-7-13/h3-5,8-9,13H,6-7,10-11H2,1-2H3
• InChIKey: WUBUTNRJYDROHU-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 极化性: 32.3892 Å^3
• 极化表面积: 46.57 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.38193583
• LogD (pH = 7.4): 1.490842
• Log P: 1.5461385
• 摩尔折射率: 86.8236 cm^3

Provided by Chembridge

• 极化表面积: 46.57 Å^2
• 可自由旋转的化学键: 5
• 质子受体: 4
• 质子供体: 0
• Log P: 2.35
• LOG S: -2.36