(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methanamine

• ChemBase编号: 307588
• 分子式: C7H11N3O
• 平均质量: 153.18174
• 单一同位素质量: 153.09021199
• SMILES: n1c(onc1CN)C1CCC1
• Canonical SMILES: NCc1noc(n1)C1CCC1
• InChI: InChI=1S/C7H11N3O/c8-4-6-9-7(11-10-6)5-2-1-3-5/h5H,1-4,8H2
• InChIKey: IPFHYVDQNXSDFN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (5-cyclobutyl-1,2,4-oxadiazol-3-yl)methanamine
• IUPAC传统名: (5-cyclobutyl-1,2,4-oxadiazol-3-yl)methanamine
• 别名: 1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methanamine

登记号

• MDL号: MFCD08691635

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.2123721
• LogD (pH = 7.4): 0.40160587
• Log P: 0.73958284
• 摩尔折射率: 41.0991 cm^3
• 极化性: 15.394622 Å^3
• 极化表面积: 64.94 Å^2