4-(4-fluorophenyl)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,6-tetrahydropyridine

• ChemBase ID: 500525
• Molecular Formular: C17H20FN3O
• Molecular Mass: 301.3586032
• Monoisotopic Mass: 301.1590405
• SMILES: n1c(onc1CCC)CN1CC=C(c2ccc(cc2)F)CC1
• Canonical SMILES: CCCc1noc(n1)CN1CCC(=CC1)c1ccc(cc1)F
• InChI: InChI=1S/C17H20FN3O/c1-2-3-16-19-17(22-20-16)12-21-10-8-14(9-11-21)13-4-6-15(18)7-5-13/h4-8H,2-3,9-12H2,1H3
• InChIKey: SRSXAVUPEIIAIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenyl)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,6-tetrahydropyridine
• IUPAC Traditional name: 4-(4-fluorophenyl)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,6-dihydro-2H-pyridine
• Synonyms: 4-(4-fluorophenyl)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,6-tetrahydropyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8906517
• LogD (pH = 7.4): 3.8806603
• Log P: 3.9322984
• Molar Refractivity: 86.0941 cm^3
• Polarizability: 31.811047 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.29
• LOG S: -3.41
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 3