N-(1-{5-[(ethylamino)methyl]-1,2,4-oxadiazol-3-yl}cyclopentyl)acetamide hydrochloride

• ChemBase编号: 255632
• 分子式: C12H21ClN4O2
• 平均质量: 288.77374
• 单一同位素质量: 288.13530361
• SMILES: c1(nc(on1)CNCC)C1(NC(=O)C)CCCC1.Cl
• Canonical SMILES: CCNCc1onc(n1)C1(CCCC1)NC(=O)C.Cl
• InChI: InChI=1S/C12H20N4O2.ClH/c1-3-13-8-10-14-11(16-18-10)12(15-9(2)17)6-4-5-7-12;/h13H,3-8H2,1-2H3,(H,15,17);1H
• InChIKey: JQSLMECJJLXBNL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(1-{5-[(ethylamino)methyl]-1,2,4-oxadiazol-3-yl}cyclopentyl)acetamide hydrochloride
• IUPAC传统名: N-(1-{5-[(ethylamino)methyl]-1,2,4-oxadiazol-3-yl}cyclopentyl)acetamide hydrochloride
• 别名: N-(1-{5-[(ethylamino)methyl]-1,2,4-oxadiazol-3-yl}cyclopentyl)acetamide hydrochloride

登记号

• MDL号: MFCD09971620
• PubChem SID: 164311542
• PubChem CID: 42953454

理论计算性质

• Acid pKa: 12.196003
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -0.9924788
• LogD (pH = 7.4): 0.44249097
• Log P: 0.6231065
• 摩尔折射率: 67.8786 cm^3
• 极化性: 25.896832 Å^3
• 极化表面积: 80.05 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -0.339

产品相关信息

• 纯度: 95%