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

• ChemBase ID: 402990
• Molecular Formular: C16H17FN2O
• Molecular Mass: 272.3173832
• Monoisotopic Mass: 272.13249139
• SMILES: c12c(noc1CCN(C2)C1CCC1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1c1noc2c1CN(CC2)C1CCC1
• InChI: InChI=1S/C16H17FN2O/c17-14-7-2-1-6-12(14)16-13-10-19(11-4-3-5-11)9-8-15(13)20-18-16/h1-2,6-7,11H,3-5,8-10H2
• InChIKey: DHPNYSFSRGURPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6976384
• LogD (pH = 7.4): 2.4524195
• Log P: 3.096287
• Molar Refractivity: 76.133 cm^3
• Polarizability: 29.79437 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: 3.1
• LOG S: -2.98
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 2