Cas no 847-39-2 (1,3,4-Oxadiazole,2,5-bis(4-methoxyphenyl)-)

1,3,4-Oxadiazole,2,5-bis(4-methoxyphenyl)- structure
847-39-2 structure
Product Name:1,3,4-Oxadiazole,2,5-bis(4-methoxyphenyl)-
CAS No:847-39-2
MF:C16H14N2O3
MW:282.293963909149
CID:729329
PubChem ID:70059
Update Time:2025-04-19

1,3,4-Oxadiazole,2,5-bis(4-methoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3,4-Oxadiazole,2,5-bis(4-methoxyphenyl)-
    • 2,5-bis-(4-methoxy-phenyl)-[1,3,4]oxadiazole
    • 2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole
    • AKOS001702551
    • UNII-JJC6GGP59J
    • SCHEMBL13004548
    • 1,3,4-Oxadiazole, 2,5-bis(p-methoxyphenyl)-
    • NSC-90474
    • DTXSID30233708
    • 2,5-Di(4-methoxyphenyl)-1,3,4-oxadiazole
    • NSC90474
    • NSC 90474
    • EINECS 212-691-8
    • SR-01000429652
    • 847-39-2
    • SR-01000429652-1
    • NS00038641
    • Oprea1_788010
    • JJC6GGP59J
    • Cambridge id 5131703
    • CBDivE_002650
    • ASDRGEKUFQCMBN-UHFFFAOYSA-N
    • 1,3,4-Oxadiazole, 2,5-bis(4-methoxyphenyl)-
    • 2,5-Di-(4-methoxyphenyl)-1,3,4-oxadiazol
    • Inchi: 1S/C16H14N2O3/c1-19-13-7-3-11(4-8-13)15-17-18-16(21-15)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
    • InChI Key: ASDRGEKUFQCMBN-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC(=CC=2)OC)=NN=C1C1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 282.100442
  • Monoisotopic Mass: 282.100442
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 283
  • 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
  • Topological Polar Surface Area: 57.4
  • XLogP3: 3

Experimental Properties

  • Density: 1.189
  • Boiling Point: 445.3°C at 760 mmHg
  • Flash Point: 223.1°C
  • Refractive Index: 1.564
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