(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methanol

• ChemBase编号: 307586
• 分子式: C8H12N2O2
• 平均质量: 168.19308
• 单一同位素质量: 168.08987763
• SMILES: n1c(onc1CO)C1CCCC1
• Canonical SMILES: OCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C8H12N2O2/c11-5-7-9-8(12-10-7)6-3-1-2-4-6/h6,11H,1-5H2
• InChIKey: YAUAWIRKPIBZMA-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 915920-03-5
• MDL号: MFCD08691633

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.2668662
• LogD (pH = 7.4): 1.2668656
• Log P: 1.2668662
• 摩尔折射率: 44.0426 cm^3
• 极化性: 16.362528 Å^3
• 极化表面积: 59.15 Å^2