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

• ChemBase编号: 392994
• 分子式: C14H16N4O
• 平均质量: 256.30304
• 单一同位素质量: 256.13241115
• SMILES: n12c(cnc1cccc2)CN(Cc1onc(c1)C)C
• Canonical SMILES: CN(Cc1cnc2n1cccc2)Cc1onc(c1)C
• InChI: InChI=1S/C14H16N4O/c1-11-7-13(19-16-11)10-17(2)9-12-8-15-14-5-3-4-6-18(12)14/h3-8H,9-10H2,1-2H3
• InChIKey: FLTQHRFWGYGKJN-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.7457626
• LogD (pH = 7.4): 0.63291496
• Log P: 0.7613371
• 摩尔折射率: 74.8802 cm^3
• 极化性: 27.668537 Å^3
• 极化表面积: 46.57 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: 4
• 质子供体: 0
• Log P: 1.3
• LOG S: -1.17
• 极化表面积: 46.57 Å^2
• 可自由旋转的化学键: 4