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

• ChemBase编号: 284354
• 分子式: C10H16N4O2
• 平均质量: 224.25964
• 单一同位素质量: 224.12732577
• SMILES: n1c(noc1C)CN(C(=O)C)C1CCNC1
• Canonical SMILES: CC(=O)N(C1CNCC1)Cc1noc(n1)C
• InChI: InChI=1S/C10H16N4O2/c1-7-12-10(13-16-7)6-14(8(2)15)9-3-4-11-5-9/h9,11H,3-6H2,1-2H3
• InChIKey: JXQVVQMCMHWUOO-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD22392269
• PubChem SID: 180669885
• PubChem CID: 73994624

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -4.0862284
• LogD (pH = 7.4): -3.574688
• Log P: -0.729768
• 摩尔折射率: 58.7304 cm^3
• 极化性: 22.165895 Å^3
• 极化表面积: 71.26 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -1.265

产品相关信息

• 纯度: 95%