Cas no 251912-65-9 (3-(4-fluorophenyl)-1,2-oxazole-5-carbaldehyde)

3-(4-Fluorophenyl)-1,2-oxazole-5-carbaldehyde is a fluorinated heterocyclic aldehyde with a molecular formula of C??H?FNO?. This compound features a 1,2-oxazole (isoxazole) core substituted with a 4-fluorophenyl group at the 3-position and a formyl group at the 5-position, making it a versatile intermediate in organic synthesis. Its structural motifs are valuable for constructing pharmacologically active molecules, particularly in medicinal chemistry and drug discovery. The electron-withdrawing fluorine atom enhances reactivity and stability, while the aldehyde group offers functionalization potential via condensation or nucleophilic addition reactions. This compound is suitable for applications in cross-coupling reactions, heterocycle derivatization, and as a precursor for bioactive scaffolds. High purity and well-defined reactivity ensure consistent performance in synthetic workflows.
3-(4-fluorophenyl)-1,2-oxazole-5-carbaldehyde structure
251912-65-9 structure
Product Name:3-(4-fluorophenyl)-1,2-oxazole-5-carbaldehyde
CAS No:251912-65-9
MF:C10H6FNO2
MW:191.158545970917
CID:823317
PubChem ID:15512362
Update Time:2025-10-29

3-(4-fluorophenyl)-1,2-oxazole-5-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Fluoro-phenyl)-isoxazole-5-carbaldehyde
    • 3-(4-fluorophenyl)-1,2-oxazole-5-carbaldehyde
    • 3-(4-FLUOROPHENYL)ISOXAZOLE-5-CARBOXALDEHYDE
    • SB36188
    • SCHEMBL20507136
    • MFCD11506179
    • CS-0450149
    • 5-Isoxazolecarboxaldehyde, 3-(4-fluorophenyl)-
    • DTXSID20573509
    • 3-(4-Fluorophenyl)isoxazole-5-carbaldehyde
    • F87251
    • DB-261734
    • 251912-65-9
    • AKOS006323753
    • EN300-380580
    • Inchi: 1S/C10H6FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-6H
    • InChI Key: AHJLKEQSLHUIPB-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C1C=C(C=O)ON=1

Computed Properties

  • Exact Mass: 191.03825660g/mol
  • Monoisotopic Mass: 191.03825660g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 204
  • 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: 1.9
  • Topological Polar Surface Area: 43.1?2

3-(4-fluorophenyl)-1,2-oxazole-5-carbaldehyde Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

3-(4-fluorophenyl)-1,2-oxazole-5-carbaldehyde Pricemore >>

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