3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(1H-pyrazol-1-yl)propan-2-yl]propanamide

• ChemBase ID: 768756
• Molecular Formular: C17H18FN5O2
• Molecular Mass: 343.3555232
• Monoisotopic Mass: 343.14445306
• SMILES: c1(nc(on1)CCC(=O)NC(Cn1nccc1)C)c1c(F)cccc1
• Canonical SMILES: CC(Cn1cccn1)NC(=O)CCc1onc(n1)c1ccccc1F
• InChI: InChI=1S/C17H18FN5O2/c1-12(11-23-10-4-9-19-23)20-15(24)7-8-16-21-17(22-25-16)13-5-2-3-6-14(13)18/h2-6,9-10,12H,7-8,11H2,1H3,(H,20,24)
• InChIKey: LPLJBFXPYPPGKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(1H-pyrazol-1-yl)propan-2-yl]propanamide
• IUPAC Traditional name: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(pyrazol-1-yl)propan-2-yl]propanamide
• Synonyms: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.379028
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2906773
• LogD (pH = 7.4): 2.2908075
• Log P: 2.2908092
• Molar Refractivity: 111.7657 cm^3
• Polarizability: 34.09707 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.27
• LOG S: -2.79
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 7