N-{2-[3-(2-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl}acetamide

• ChemBase ID: 860896
• Molecular Formular: C16H16FN3O3
• Molecular Mass: 317.3149432
• Monoisotopic Mass: 317.11756961
• SMILES: c12c(noc1CCN(C2)C(=O)CNC(=O)C)c1c(F)cccc1
• Canonical SMILES: CC(=O)NCC(=O)N1CCc2c(C1)c(no2)c1ccccc1F
• InChI: InChI=1S/C16H16FN3O3/c1-10(21)18-8-15(22)20-7-6-14-12(9-20)16(19-23-14)11-4-2-3-5-13(11)17/h2-5H,6-9H2,1H3,(H,18,21)
• InChIKey: FRUCRMSSYDMKJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[3-(2-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl}acetamide
• IUPAC Traditional name: N-{2-[3-(2-fluorophenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl}acetamide
• Synonyms: N-{2-[3-(2-fluorophenyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]-2-oxoethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.999828
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.30776465
• LogD (pH = 7.4): 0.3077552
• Log P: 0.30776486
• Molar Refractivity: 81.3955 cm^3
• Polarizability: 31.548904 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.38
• LOG S: -2.08
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 3