N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 747892
• 分子式: C17H18N4O2
• 平均质量: 310.35042
• 单一同位素质量: 310.14297584
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(Cc1noc(c1)C1CC1)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N(Cc1noc(c1)C1CC1)C
• InChI: InChI=1S/C17H18N4O2/c1-11-3-6-16-18-14(10-21(16)8-11)17(22)20(2)9-13-7-15(23-19-13)12-4-5-12/h3,6-8,10,12H,4-5,9H2,1-2H3
• InChIKey: WNNHIXBFRCFNLT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-[(5-cyclopropyl-3-isoxazolyl)methyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.7417296
• LogD (pH = 7.4): 1.7505213
• Log P: 1.7506347
• 摩尔折射率: 87.3529 cm^3
• 极化性: 31.89241 Å^3
• 极化表面积: 63.64 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: 1.13
• LOG S: -2.43
• 极化表面积: 63.64 Å^2
• 可自由旋转的化学键: 4