N-methyl-5-(5-propyl-1,2-oxazole-3-carbonyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

• ChemBase ID: 747163
• Molecular Formular: C15H18N4O4
• Molecular Mass: 318.32782
• Monoisotopic Mass: 318.13280508
• SMILES: c12c(noc2CCN(C(=O)c2noc(c2)CCC)C1)C(=O)NC
• Canonical SMILES: CCCc1onc(c1)C(=O)N1CCc2c(C1)c(no2)C(=O)NC
• InChI: InChI=1S/C15H18N4O4/c1-3-4-9-7-11(17-22-9)15(21)19-6-5-12-10(8-19)13(18-23-12)14(20)16-2/h7H,3-6,8H2,1-2H3,(H,16,20)
• InChIKey: WUPGXZBTMPARET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-(5-propyl-1,2-oxazole-3-carbonyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-methyl-5-(5-propyl-1,2-oxazole-3-carbonyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• Synonyms: N-methyl-5-[(5-propyl-3-isoxazolyl)carbonyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.071683
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4686596
• LogD (pH = 7.4): 0.46865153
• Log P: 0.46865973
• Molar Refractivity: 83.2297 cm^3
• Polarizability: 29.833801 Å^3
• Polar Surface Area: 101.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.79
• LOG S: -1.3
• Polar Surface Area: 101.47 Å^2
• Rotatable Bonds: 4