N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 318568
• 分子式: C18H21N5O2
• 平均质量: 339.39164
• 单一同位素质量: 339.16952494
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(Cc1nc(on1)C1CCCC1)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N(Cc1noc(n1)C1CCCC1)C
• InChI: InChI=1S/C18H21N5O2/c1-12-7-8-16-19-14(10-23(16)9-12)18(24)22(2)11-15-20-17(25-21-15)13-5-3-4-6-13/h7-10,13H,3-6,11H2,1-2H3
• InChIKey: OKBHYWBVSVFZJB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.8486152
• LogD (pH = 7.4): 2.8574798
• Log P: 2.8575943
• 摩尔折射率: 95.2587 cm^3
• 极化性: 34.71453 Å^3
• 极化表面积: 76.53 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: 5
• 质子供体: 0
• Log P: 1.63
• LOG S: -3.07
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 4