N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase编号: 417969
• 分子式: C14H20N4O4
• 平均质量: 308.333
• 单一同位素质量: 308.14845514
• SMILES: n1c(noc1C1CCCC1)CN(C(=O)CN1C(=O)OCC1)C
• Canonical SMILES: O=C(N(Cc1noc(n1)C1CCCC1)C)CN1CCOC1=O
• InChI: InChI=1S/C14H20N4O4/c1-17(12(19)9-18-6-7-21-14(18)20)8-11-15-13(22-16-11)10-4-2-3-5-10/h10H,2-9H2,1H3
• InChIKey: AMCPWHFWJZBVBR-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-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC传统名: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• 别名: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 18.34237
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.9099752
• LogD (pH = 7.4): 0.9099752
• Log P: 0.9099752
• 摩尔折射率: 77.3954 cm^3
• 极化性: 29.273024 Å^3
• 极化表面积: 88.77 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: 6
• 质子供体: 0
• Log P: 0.45
• LOG S: -1.83
• 极化表面积: 88.77 Å^2
• 可自由旋转的化学键: 5