5-hydroxy-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazine-2-carboxamide

• ChemBase ID: 645482
• Molecular Formular: C15H13N5O3
• Molecular Mass: 311.29542
• Monoisotopic Mass: 311.1018393
• SMILES: n1c(oc(n1)CN(C(=O)c1ncc(nc1)O)C)c1ccccc1
• Canonical SMILES: Oc1cnc(cn1)C(=O)N(Cc1nnc(o1)c1ccccc1)C
• InChI: InChI=1S/C15H13N5O3/c1-20(15(22)11-7-17-12(21)8-16-11)9-13-18-19-14(23-13)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,21)
• InChIKey: JZODGUVOAFAIPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxy-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-hydroxy-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazine-2-carboxamide
• Synonyms: 5-hydroxy-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.692106
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.31645796
• LogD (pH = 7.4): 0.3143071
• Log P: 0.31648546
• Molar Refractivity: 92.5052 cm^3
• Polarizability: 30.707968 Å^3
• Polar Surface Area: 105.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -0.99
• LOG S: -1.94
• Polar Surface Area: 105.24 Å^2
• Rotatable Bonds: 4