1-cyclopentyl-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

• ChemBase编号: 704105
• 分子式: C19H28N4O3
• 平均质量: 360.45062
• 单一同位素质量: 360.21614078
• SMILES: N1(C(=O)CC(C1)C(=O)NCCc1nc(on1)C1CCCC1)C1CCCC1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CCCC1)NCCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C19H28N4O3/c24-17-11-14(12-23(17)15-7-3-4-8-15)18(25)20-10-9-16-21-19(26-22-16)13-5-1-2-6-13/h13-15H,1-12H2,(H,20,25)
• InChIKey: QHDMQPXVUTVZTM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopentyl-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
• IUPAC传统名: 1-cyclopentyl-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
• 别名: 1-cyclopentyl-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-3-pyrrolidinecarboxamide

理论计算性质

JChem

• Acid pKa: 15.191644
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.7731508
• LogD (pH = 7.4): 1.7731509
• Log P: 1.7731509
• 摩尔折射率: 96.8533 cm^3
• 极化性: 36.955933 Å^3
• 极化表面积: 88.33 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: 1.03
• LOG S: -2.71
• 极化表面积: 88.33 Å^2
• 可自由旋转的化学键: 6