N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide

• ChemBase编号: 284355
• 分子式: C11H18N4O2
• 平均质量: 238.28622
• 单一同位素质量: 238.14297584
• SMILES: n1c(noc1CC)CN(C(=O)C)C1CCNC1
• Canonical SMILES: CCc1onc(n1)CN(C1CNCC1)C(=O)C
• InChI: InChI=1S/C11H18N4O2/c1-3-11-13-10(14-17-11)7-15(8(2)16)9-4-5-12-6-9/h9,12H,3-7H2,1-2H3
• InChIKey: WCPLHSSJPUVSBT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
• IUPAC传统名: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
• 别名: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide

登记号

• MDL号: MFCD22578753
• PubChem SID: 180669886
• PubChem CID: 73994625

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -3.4372587
• LogD (pH = 7.4): -2.925718
• Log P: -0.08079808
• 摩尔折射率: 63.3573 cm^3
• 极化性: 23.993402 Å^3
• 极化表面积: 71.26 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -0.736

产品相关信息

• 纯度: 95%