5-[5-(2-chlorophenyl)furan-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

• ChemBase ID: 849330
• Molecular Formular: C15H13ClN2O3
• Molecular Mass: 304.72832
• Monoisotopic Mass: 304.06146997
• SMILES: c1(nc(no1)CCOC)c1oc(c2c(Cl)cccc2)cc1
• Canonical SMILES: COCCc1noc(n1)c1ccc(o1)c1ccccc1Cl
• InChI: InChI=1S/C15H13ClN2O3/c1-19-9-8-14-17-15(21-18-14)13-7-6-12(20-13)10-4-2-3-5-11(10)16/h2-7H,8-9H2,1H3
• InChIKey: RJCUJUUUFFQBCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(2-chlorophenyl)furan-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-[5-(2-chlorophenyl)furan-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
• Synonyms: 5-[5-(2-chlorophenyl)-2-furyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4705558
• LogD (pH = 7.4): 3.4705558
• Log P: 3.4705558
• Molar Refractivity: 89.7623 cm^3
• Polarizability: 31.5744 Å^3
• Polar Surface Area: 61.29 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: 3.15
• LOG S: -4.11
• Polar Surface Area: 61.29 Å^2
• Rotatable Bonds: 5