5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine

• ChemBase ID: 550569
• Molecular Formular: C19H19FN4O2
• Molecular Mass: 354.3781632
• Monoisotopic Mass: 354.14920409
• SMILES: n1c(noc1c1cnc(N2CC(CC2)COC)cc1)c1c(F)cccc1
• Canonical SMILES: COCC1CCN(C1)c1ccc(cn1)c1onc(n1)c1ccccc1F
• InChI: InChI=1S/C19H19FN4O2/c1-25-12-13-8-9-24(11-13)17-7-6-14(10-21-17)19-22-18(23-26-19)15-4-2-3-5-16(15)20/h2-7,10,13H,8-9,11-12H2,1H3
• InChIKey: LGBADXAANVHYRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine
• IUPAC Traditional name: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine
• Synonyms: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[3-(methoxymethyl)-1-pyrrolidinyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.8264842
• LogD (pH = 7.4): 3.908733
• Log P: 3.9098942
• Molar Refractivity: 118.5821 cm^3
• Polarizability: 36.9194 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.94
• LOG S: -5.11
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 4