{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}(methyl){[5-(propan-2-yl)-1,2-oxazol-3-yl]methyl}amine

• ChemBase编号: 750529
• 分子式: C19H24N4O2
• 平均质量: 340.41946
• 单一同位素质量: 340.18992603
• SMILES: c1(n(c2ccc(cc2)OC)ccn1)CN(Cc1noc(c1)C(C)C)C
• Canonical SMILES: COc1ccc(cc1)n1ccnc1CN(Cc1noc(c1)C(C)C)C
• InChI: InChI=1S/C19H24N4O2/c1-14(2)18-11-15(21-25-18)12-22(3)13-19-20-9-10-23(19)16-5-7-17(24-4)8-6-16/h5-11,14H,12-13H2,1-4H3
• InChIKey: QGJFLKWHELQBQS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}(methyl){[5-(propan-2-yl)-1,2-oxazol-3-yl]methyl}amine
• IUPAC传统名: [(5-isopropyl-1,2-oxazol-3-yl)methyl]({[1-(4-methoxyphenyl)imidazol-2-yl]methyl})methylamine
• 别名: 1-(5-isopropylisoxazol-3-yl)-N-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}-N-methylmethanamine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.4189608
• LogD (pH = 7.4): 2.840833
• Log P: 2.8508492
• 摩尔折射率: 108.017 cm^3
• 极化性: 37.99633 Å^3
• 极化表面积: 56.32 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 3.42
• LOG S: -3.6
• 极化表面积: 56.32 Å^2
• 可自由旋转的化学键: 7