N-cyclopropyl-5-(morpholin-4-ylmethyl)-N-propyl-1,2-oxazole-3-carboxamide

• ChemBase编号: 584657
• 分子式: C15H23N3O3
• 平均质量: 293.36142
• 单一同位素质量: 293.17394161
• SMILES: c1(C(=O)N(C2CC2)CCC)noc(c1)CN1CCOCC1
• Canonical SMILES: CCCN(C(=O)c1noc(c1)CN1CCOCC1)C1CC1
• InChI: InChI=1S/C15H23N3O3/c1-2-5-18(12-3-4-12)15(19)14-10-13(21-16-14)11-17-6-8-20-9-7-17/h10,12H,2-9,11H2,1H3
• InChIKey: JZLXSMJHTVZOAW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-5-(morpholin-4-ylmethyl)-N-propyl-1,2-oxazole-3-carboxamide
• IUPAC传统名: N-cyclopropyl-5-(morpholin-4-ylmethyl)-N-propyl-1,2-oxazole-3-carboxamide
• 别名: N-cyclopropyl-5-(morpholin-4-ylmethyl)-N-propylisoxazole-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.83883804
• LogD (pH = 7.4): 1.0068034
• Log P: 1.0094262
• 摩尔折射率: 79.9783 cm^3
• 极化性: 30.21386 Å^3
• 极化表面积: 58.81 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: -1.32
• LOG S: -1.52
• 极化表面积: 58.81 Å^2
• 可自由旋转的化学键: 6