3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)propanamide

• ChemBase ID: 853297
• Molecular Formular: C19H18FN3O3
• Molecular Mass: 355.3629232
• Monoisotopic Mass: 355.13321967
• SMILES: c1(nc(on1)CCC(=O)N(Cc1occc1)CC=C)c1c(F)cccc1
• Canonical SMILES: C=CCN(C(=O)CCc1onc(n1)c1ccccc1F)Cc1ccco1
• InChI: InChI=1S/C19H18FN3O3/c1-2-11-23(13-14-6-5-12-25-14)18(24)10-9-17-21-19(22-26-17)15-7-3-4-8-16(15)20/h2-8,12H,1,9-11,13H2
• InChIKey: SNLDQDMSFUETSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)propanamide
• IUPAC Traditional name: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)propanamide
• Synonyms: N-allyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-furylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4907317
• LogD (pH = 7.4): 3.4907317
• Log P: 3.4907317
• Molar Refractivity: 105.4174 cm^3
• Polarizability: 35.73233 Å^3
• Polar Surface Area: 72.37 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.38
• LOG S: -3.82
• Polar Surface Area: 72.37 Å^2
• Rotatable Bonds: 8