[(dimethyl-1,2-oxazol-4-yl)methyl](methyl)[1-(pyrazin-2-yl)propan-2-yl]amine

• ChemBase编号: 435423
• 分子式: C14H20N4O
• 平均质量: 260.3348
• 单一同位素质量: 260.16371128
• SMILES: c1(CN(C(Cc2nccnc2)C)C)c(onc1C)C
• Canonical SMILES: CC(N(Cc1c(C)noc1C)C)Cc1nccnc1
• InChI: InChI=1S/C14H20N4O/c1-10(7-13-8-15-5-6-16-13)18(4)9-14-11(2)17-19-12(14)3/h5-6,8,10H,7,9H2,1-4H3
• InChIKey: FQRFQNXZEYYYSV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(dimethyl-1,2-oxazol-4-yl)methyl](methyl)[1-(pyrazin-2-yl)propan-2-yl]amine
• IUPAC传统名: [(dimethyl-1,2-oxazol-4-yl)methyl](methyl)[1-(pyrazin-2-yl)propan-2-yl]amine
• 别名: N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.9495448
• LogD (pH = 7.4): -0.1764312
• Log P: 0.6343074
• 摩尔折射率: 74.6787 cm^3
• 极化性: 28.292583 Å^3
• 极化表面积: 55.05 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.71
• LOG S: -0.7
• 极化表面积: 55.05 Å^2
• 可自由旋转的化学键: 5