3-methyl-5-(1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}pyrrolidin-2-yl)-1,2-oxazole

• ChemBase编号: 328601
• 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)N1C(c2onc(c2)C)CCC1
• Canonical SMILES: Cc1noc(c1)C1CCCN1C(=O)c1nc2n(c1)cc(cc2)C
• InChI: InChI=1S/C17H18N4O2/c1-11-5-6-16-18-13(10-20(16)9-11)17(22)21-7-3-4-14(21)15-8-12(2)19-23-15/h5-6,8-10,14H,3-4,7H2,1-2H3
• InChIKey: GZSQEAQYCUSVBC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-methyl-5-(1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}pyrrolidin-2-yl)-1,2-oxazole
• IUPAC传统名: 3-methyl-5-(1-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}pyrrolidin-2-yl)-1,2-oxazole
• 别名: 6-methyl-2-{[2-(3-methyl-5-isoxazolyl)-1-pyrrolidinyl]carbonyl}imidazo[1,2-a]pyridine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5538883
• LogD (pH = 7.4): 1.562655
• Log P: 1.5627679
• 摩尔折射率: 87.2122 cm^3
• 极化性: 31.890837 Å^3
• 极化表面积: 63.64 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.77
• LOG S: -2.12
• 极化表面积: 63.64 Å^2
• 可自由旋转的化学键: 2