3-(2-fluorophenyl)-5-(propan-2-yl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine

• ChemBase ID: 747219
• Molecular Formular: C15H17FN2O
• Molecular Mass: 260.3066832
• Monoisotopic Mass: 260.13249139
• SMILES: c12c(noc1CCN(C2)C(C)C)c1c(F)cccc1
• Canonical SMILES: CC(N1CCc2c(C1)c(no2)c1ccccc1F)C
• InChI: InChI=1S/C15H17FN2O/c1-10(2)18-8-7-14-12(9-18)15(17-19-14)11-5-3-4-6-13(11)16/h3-6,10H,7-9H2,1-2H3
• InChIKey: BTJIYDFFPIEMNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenyl)-5-(propan-2-yl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine
• IUPAC Traditional name: 3-(2-fluorophenyl)-5-isopropyl-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine
• Synonyms: 3-(2-fluorophenyl)-5-isopropyl-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.56331503
• LogD (pH = 7.4): 2.3177092
• Log P: 2.9595368
• Molar Refractivity: 73.4882 cm^3
• Polarizability: 28.68155 Å^3
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.92
• LOG S: -2.58
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 2