5-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide

• ChemBase ID: 446129
• Molecular Formular: C17H16N4O2
• Molecular Mass: 308.33454
• Monoisotopic Mass: 308.12732577
• SMILES: c1(c(noc1C)c1ccccc1)C(=O)NCc1ncc(nc1)C
• Canonical SMILES: Cc1cnc(cn1)CNC(=O)c1c(C)onc1c1ccccc1
• InChI: InChI=1S/C17H16N4O2/c1-11-8-19-14(9-18-11)10-20-17(22)15-12(2)23-21-16(15)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,20,22)
• InChIKey: NQOQQUNWPCRVOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
• IUPAC Traditional name: 5-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
• Synonyms: 5-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylisoxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.6637535
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1466987
• LogD (pH = 7.4): 1.1467144
• Log P: 1.1467149
• Molar Refractivity: 85.7571 cm^3
• Polarizability: 33.270237 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: 0.75
• LOG S: -2.09
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 4