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

• ChemBase编号: 778342
• 分子式: C14H20N4O3
• 平均质量: 292.3336
• 单一同位素质量: 292.15354052
• SMILES: N1(C(=O)CC(C(=O)N(Cc2nnc(o2)CC)C)C1)C1CC1
• Canonical SMILES: CCc1nnc(o1)CN(C(=O)C1CC(=O)N(C1)C1CC1)C
• InChI: InChI=1S/C14H20N4O3/c1-3-11-15-16-12(21-11)8-17(2)14(20)9-6-13(19)18(7-9)10-4-5-10/h9-10H,3-8H2,1-2H3
• InChIKey: KCFHYKBHYKMYER-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.2686274
• LogD (pH = 7.4): -1.2686273
• Log P: -1.2686273
• 摩尔折射率: 76.0001 cm^3
• 极化性: 28.525286 Å^3
• 极化表面积: 79.54 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: -0.93
• LOG S: -1.85
• 极化表面积: 79.54 Å^2
• 可自由旋转的化学键: 5