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

• ChemBase编号: 487542
• 分子式: C19H19N5O2
• 平均质量: 349.38646
• 单一同位素质量: 349.15387487
• SMILES: n12c(cnc1cccc2)CN(Cc1nc(no1)COc1ccccc1)C
• Canonical SMILES: CN(Cc1cnc2n1cccc2)Cc1onc(n1)COc1ccccc1
• InChI: InChI=1S/C19H19N5O2/c1-23(12-15-11-20-18-9-5-6-10-24(15)18)13-19-21-17(22-26-19)14-25-16-7-3-2-4-8-16/h2-11H,12-14H2,1H3
• InChIKey: GWBOERNLSWCPQD-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.542204
• LogD (pH = 7.4): 2.4261878
• Log P: 2.4619002
• 摩尔折射率: 99.4988 cm^3
• 极化性: 37.148243 Å^3
• 极化表面积: 68.69 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: 7
• 质子供体: 0
• Log P: 1.85
• LOG S: -2.07
• 极化表面积: 68.69 Å^2
• 可自由旋转的化学键: 7