Cas no 170486-49-4 (Methanone, bis(4-oxazolyl)-)

Methanone, bis(4-oxazolyl)- structure
Methanone, bis(4-oxazolyl)- structure
Product Name:Methanone, bis(4-oxazolyl)-
CAS No:170486-49-4
MF:C7H4N2O3
MW:164.11826133728
CID:1352250
PubChem ID:19047438
Update Time:2025-04-20

Methanone, bis(4-oxazolyl)- Chemical and Physical Properties

Names and Identifiers

    • Methanone, bis(4-oxazolyl)-
    • SCHEMBL8865580
    • DTXSID701310518
    • 170486-49-4
    • Inchi： 1S/C7H4N2O3/c10-7(5-1-11-3-8-5)6-2-12-4-9-6/h1-4H
    • InChI Key： PALRZVLQGJKZPD-UHFFFAOYSA-N
    • SMILES： O1C=NC(=C1)C(C1=COC=N1)=O

Computed Properties

  • Exact Mass: 164.02222
  • Monoisotopic Mass: 164.02219199g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 168
  • 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: 0.8
  • Topological Polar Surface Area: 69.1?2

Experimental Properties

  • PSA: 69.13

Methanone, bis(4-oxazolyl)- Related Literature

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