4-{5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}pyridine

• ChemBase ID: 438954
• Molecular Formular: C16H12FN3O
• Molecular Mass: 281.2843832
• Monoisotopic Mass: 281.09644024
• SMILES: n1c(C2(CC2)c2ccc(cc2)F)onc1c1ccncc1
• Canonical SMILES: Fc1ccc(cc1)C1(CC1)c1onc(n1)c1ccncc1
• InChI: InChI=1S/C16H12FN3O/c17-13-3-1-12(2-4-13)16(7-8-16)15-19-14(20-21-15)11-5-9-18-10-6-11/h1-6,9-10H,7-8H2
• InChIKey: LZLKCXPGCTTZBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}pyridine
• IUPAC Traditional name: 4-{5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}pyridine
• Synonyms: 4-{5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7318656
• LogD (pH = 7.4): 3.7324343
• Log P: 3.7324417
• Molar Refractivity: 97.075 cm^3
• Polarizability: 28.787888 Å^3
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.05
• LOG S: -3.86
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 3