Cas no 113758-86-4 ([3-[1-(5-amino-1,2-oxazol-3-yl)ethyl]phenyl]-phenylmethanone)

[3-[1-(5-amino-1,2-oxazol-3-yl)ethyl]phenyl]-phenylmethanone structure
113758-86-4 structure
Product Name:[3-[1-(5-amino-1,2-oxazol-3-yl)ethyl]phenyl]-phenylmethanone
CAS No:113758-86-4
MF:C18H16N2O2
MW:292.331844329834
CID:2611550
PubChem ID:15676110
Update Time:2025-04-21

[3-[1-(5-amino-1,2-oxazol-3-yl)ethyl]phenyl]-phenylmethanone Chemical and Physical Properties

Names and Identifiers

    • [3-[1-(5-amino-1,2-oxazol-3-yl)ethyl]phenyl]-phenylmethanone
    • 113758-86-4
    • {3-[1-(5-Amino-1,2-oxazol-3-yl)ethyl]phenyl}(phenyl)methanone
    • DTXSID60576711
    • Inchi: 1S/C18H16N2O2/c1-12(16-11-17(19)22-20-16)14-8-5-9-15(10-14)18(21)13-6-3-2-4-7-13/h2-12H,19H2,1H3
    • InChI Key: AXVUDZWAOQSWOG-UHFFFAOYSA-N
    • SMILES: O1C(=CC(C(C)C2C=CC=C(C(C3C=CC=CC=3)=O)C=2)=N1)N

Computed Properties

  • Exact Mass: 292.121177757Da
  • Monoisotopic Mass: 292.121177757Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 381
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 69.1?2
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