N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide

• ChemBase ID: 862804
• Molecular Formular: C25H25N3O3
• Molecular Mass: 415.4843
• Monoisotopic Mass: 415.18959168
• SMILES: c1(C(=O)N(Cc2c3c(nccc3)c(cc2)OC)C)cc(no1)CC(c1ccccc1)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)c1onc(c1)CC(c1ccccc1)C)C
• InChI: InChI=1S/C25H25N3O3/c1-17(18-8-5-4-6-9-18)14-20-15-23(31-27-20)25(29)28(2)16-19-11-12-22(30-3)24-21(19)10-7-13-26-24/h4-13,15,17H,14,16H2,1-3H3
• InChIKey: OZUWBWCGFUGLHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
• Synonyms: N-[(8-methoxy-5-quinolinyl)methyl]-N-methyl-3-(2-phenylpropyl)-5-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.977103
• LogD (pH = 7.4): 3.9775336
• Log P: 3.977539
• Molar Refractivity: 119.7094 cm^3
• Polarizability: 46.52772 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.09
• LOG S: -5.12
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6