Cas no 251912-67-1 (3-(4-methylphenyl)-1,2-oxazole-5-carbaldehyde)

3-(4-Methylphenyl)-1,2-oxazole-5-carbaldehyde is a heterocyclic organic compound featuring an oxazole core substituted with a 4-methylphenyl group at the 3-position and a formyl group at the 5-position. This aldehyde-functionalized oxazole derivative serves as a versatile intermediate in organic synthesis, particularly in the construction of more complex heterocyclic systems and pharmaceutical scaffolds. Its reactive aldehyde group enables further functionalization through condensation, reduction, or nucleophilic addition reactions. The methylphenyl substituent enhances stability while maintaining reactivity, making it suitable for applications in medicinal chemistry and materials science. The compound is typically handled under controlled conditions due to its sensitivity.
3-(4-methylphenyl)-1,2-oxazole-5-carbaldehyde structure
251912-67-1 structure
Product Name:3-(4-methylphenyl)-1,2-oxazole-5-carbaldehyde
CAS No:251912-67-1
MF:C11H9NO2
MW:187.194662809372
CID:1424541
PubChem ID:15537018
Update Time:2025-05-23

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

Names and Identifiers

    • 5-Isoxazolecarboxaldehyde, 3-(4-methylphenyl)-
    • 3-(4-methylphenyl)-1,2-oxazole-5-carbaldehyde
    • SCHEMBL25730368
    • 3-p-methylphenylisoxazole-5-carbaldehyde
    • BKA91267
    • 3-p-Tolylisoxazole-5-carbaldehyde
    • EN300-380590
    • 251912-67-1
    • 3-(p-tolyl)isoxazole-5-carbaldehyde
    • Inchi： 1S/C11H9NO2/c1-8-2-4-9(5-3-8)11-6-10(7-13)14-12-11/h2-7H,1H3
    • InChI Key： YPCDZALYMSPPKS-UHFFFAOYSA-N
    • SMILES： O1C(C=O)=CC(C2C=CC(C)=CC=2)=N1

Computed Properties

  • Exact Mass: 187.063328530g/mol
  • Monoisotopic Mass: 187.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 200
  • 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: 2.2
  • Topological Polar Surface Area: 43.1?2

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

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