5-(5-fluoro-2-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

• ChemBase ID: 500743
• Molecular Formular: C13H13FN2O3
• Molecular Mass: 264.2523232
• Monoisotopic Mass: 264.09102051
• SMILES: n1c(c2c(ccc(c2)F)OC)onc1C1COCC1
• Canonical SMILES: COc1ccc(cc1c1onc(n1)C1COCC1)F
• InChI: InChI=1S/C13H13FN2O3/c1-17-11-3-2-9(14)6-10(11)13-15-12(16-19-13)8-4-5-18-7-8/h2-3,6,8H,4-5,7H2,1H3
• InChIKey: BAGYSZWCECRJJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-fluoro-2-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-(5-fluoro-2-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
• Synonyms: 5-(5-fluoro-2-methoxyphenyl)-3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3378181
• LogD (pH = 7.4): 2.3378181
• Log P: 2.3378181
• Molar Refractivity: 77.0754 cm^3
• Polarizability: 25.237576 Å^3
• Polar Surface Area: 57.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.79
• LOG S: -2.66
• Polar Surface Area: 57.38 Å^2
• Rotatable Bonds: 3