Cas no 648440-94-2 (1,2,4-Oxadiazole, 3,3'-(1,12-dodecanediyl)bis[5-phenyl-)

1,2,4-Oxadiazole, 3,3'-(1,12-dodecanediyl)bis[5-phenyl- structure
648440-94-2 structure
Product Name:1,2,4-Oxadiazole, 3,3'-(1,12-dodecanediyl)bis[5-phenyl-
CAS No:648440-94-2
MF:C28H34N4O2
MW:458.595166683197
CID:414290
PubChem ID:66869250
Update Time:2025-04-19

1,2,4-Oxadiazole, 3,3'-(1,12-dodecanediyl)bis[5-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 5-phenyl-3-[12-(5-phenyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole
    • 648440-94-2
    • 3,3'-(Dodecane-1,12-diyl)bis(5-phenyl-1,2,4-oxadiazole)
    • SCHEMBL990519
    • DTXSID80735924
    • 1,2,4-Oxadiazole, 3,3'-(1,12-dodecanediyl)bis[5-phenyl-
    • Inchi: 1S/C28H34N4O2/c1(3-5-7-15-21-25-29-27(33-31-25)23-17-11-9-12-18-23)2-4-6-8-16-22-26-30-28(34-32-26)24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2
    • InChI Key: UJFBLNKXEZVOSE-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC=CC=2)=NC(CCCCCCCCCCCCC2=NOC(C3C=CC=CC=3)=N2)=N1

Computed Properties

  • Exact Mass: 458.26817634g/mol
  • Monoisotopic Mass: 458.26817634g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 15
  • Complexity: 479
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9
  • Topological Polar Surface Area: 77.8?2
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