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

• ChemBase ID: 774542
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: c1(noc(c1)C)C(=O)NC1c2c(nc(nc2)c2ccccc2)CCC1
• Canonical SMILES: Cc1onc(c1)C(=O)NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C19H18N4O2/c1-12-10-17(23-25-12)19(24)22-16-9-5-8-15-14(16)11-20-18(21-15)13-6-3-2-4-7-13/h2-4,6-7,10-11,16H,5,8-9H2,1H3,(H,22,24)
• InChIKey: JNENKBVEWMOYCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.441715
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0065067
• LogD (pH = 7.4): 3.0067294
• Log P: 3.0067358
• Molar Refractivity: 104.6988 cm^3
• Polarizability: 35.55459 Å^3
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.5
• LOG S: -5.07
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 3