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

• ChemBase编号: 284347
• 分子式: C11H17N3O2
• 平均质量: 223.27158
• 单一同位素质量: 223.1320768
• SMILES: n1c(oc(c1)C)CN(C(=O)C)C1CCNC1
• Canonical SMILES: CC(=O)N(C1CNCC1)Cc1ncc(o1)C
• InChI: InChI=1S/C11H17N3O2/c1-8-5-13-11(16-8)7-14(9(2)15)10-3-4-12-6-10/h5,10,12H,3-4,6-7H2,1-2H3
• InChIKey: UBLVKEFUHHMXFH-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD22392266
• PubChem SID: 180669878
• PubChem CID: 71873202

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.2926064
• LogD (pH = 7.4): -3.8629446
• Log P: -1.0600455
• 摩尔折射率: 59.349 cm^3
• 极化性: 22.998346 Å^3
• 极化表面积: 58.37 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): -0.938

产品相关信息

• 纯度: 95%