5-{[(5-chloropyridin-3-yl)oxy]methyl}-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide

• ChemBase ID: 788428
• Molecular Formular: C16H15ClN4O4
• Molecular Mass: 362.7677
• Monoisotopic Mass: 362.07818266
• SMILES: c1(noc(c1)COc1cc(Cl)cnc1)C(=O)N(Cc1onc(c1)C)C
• Canonical SMILES: Clc1cncc(c1)OCc1onc(c1)C(=O)N(Cc1onc(c1)C)C
• InChI: InChI=1S/C16H15ClN4O4/c1-10-3-13(24-19-10)8-21(2)16(22)15-5-14(25-20-15)9-23-12-4-11(17)6-18-7-12/h3-7H,8-9H2,1-2H3
• InChIKey: OOFKORWMKXOUGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[(5-chloropyridin-3-yl)oxy]methyl}-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-{[(5-chloropyridin-3-yl)oxy]methyl}-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
• Synonyms: 5-{[(5-chloropyridin-3-yl)oxy]methyl}-N-methyl-N-[(3-methylisoxazol-5-yl)methyl]isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0341996
• LogD (pH = 7.4): 1.0351864
• Log P: 1.035199
• Molar Refractivity: 90.1246 cm^3
• Polarizability: 33.464443 Å^3
• Polar Surface Area: 94.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.02
• LOG S: -3.14
• Polar Surface Area: 94.49 Å^2
• Rotatable Bonds: 6