5-ethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 530487
• Molecular Formular: C20H20N4O2
• Molecular Mass: 348.3984
• Monoisotopic Mass: 348.1586259
• SMILES: c1(C(=O)NC2c3c(nc(nc3)c3ccccc3)CCC2)ncoc1CC
• Canonical SMILES: CCc1ocnc1C(=O)NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C20H20N4O2/c1-2-17-18(22-12-26-17)20(25)24-16-10-6-9-15-14(16)11-21-19(23-15)13-7-4-3-5-8-13/h3-5,7-8,11-12,16H,2,6,9-10H2,1H3,(H,24,25)
• InChIKey: CNEQPGZWTSYFRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-ethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide
• Synonyms: 5-ethyl-N-(2-phenyl-5,6,7,8-tetrahydro-5-quinazolinyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.220096
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.006787
• LogD (pH = 7.4): 3.0070124
• Log P: 3.0070155
• Molar Refractivity: 108.4902 cm^3
• Polarizability: 37.390785 Å^3
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.68
• LOG S: -4.81
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 3