2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylacetamide

• ChemBase编号: 241975
• 分子式: C14H17N3O2
• 平均质量: 259.30368
• 单一同位素质量: 259.1320768
• SMILES: C(=O)(N(Cc1noc(c1)C)C)C(c1ccccc1)N
• Canonical SMILES: O=C(C(c1ccccc1)N)N(Cc1noc(c1)C)C
• InChI: InChI=1S/C14H17N3O2/c1-10-8-12(16-19-10)9-17(2)14(18)13(15)11-6-4-3-5-7-11/h3-8,13H,9,15H2,1-2H3
• InChIKey: QRJKTENJUDTKGU-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD12484723
• PubChem SID: 164297885
• PubChem CID: 43588861

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.3712583
• LogD (pH = 7.4): 0.30236763
• Log P: 0.7994151
• 摩尔折射率: 72.659 cm^3
• 极化性: 27.765776 Å^3
• 极化表面积: 72.36 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): 0.335

产品相关信息

• 纯度: 95%