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

• ChemBase编号: 240796
• 分子式: C12H20ClN3O2
• 平均质量: 273.7591
• 单一同位素质量: 273.12440458
• SMILES: n1c(oc(c1)CC)CN(C(=O)C)C1CCNC1.Cl
• Canonical SMILES: CCc1cnc(o1)CN(C1CNCC1)C(=O)C.Cl
• InChI: InChI=1S/C12H19N3O2.ClH/c1-3-11-7-14-12(17-11)8-15(9(2)16)10-4-5-13-6-10;/h7,10,13H,3-6,8H2,1-2H3;1H
• InChIKey: DVJUQTVFUNQWIX-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD22392218
• PubChem SID: 164296706
• PubChem CID: 71756632

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -3.7700832
• LogD (pH = 7.4): -3.3404222
• Log P: -0.5375231
• 摩尔折射率: 63.873 cm^3
• 极化性: 24.831167 Å^3
• 极化表面积: 58.37 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): -0.409

产品相关信息

• 纯度: 95%