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

• ChemBase ID: 698668
• Molecular Formular: C15H11Cl2N3O2
• Molecular Mass: 336.17274
• Monoisotopic Mass: 335.02283197
• SMILES: n1c(onc1COC)c1cnc(c2cc(c(cc2)Cl)Cl)cc1
• Canonical SMILES: COCc1noc(n1)c1ccc(nc1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C15H11Cl2N3O2/c1-21-8-14-19-15(22-20-14)10-3-5-13(18-7-10)9-2-4-11(16)12(17)6-9/h2-7H,8H2,1H3
• InChIKey: BKWCYWVIRSOOJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.064984
• LogD (pH = 7.4): 4.066072
• Log P: 4.066086
• Molar Refractivity: 95.0704 cm^3
• Polarizability: 33.922592 Å^3
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.53
• LOG S: -4.67
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 4