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CS-W001157 4
Total: USD 88.00

5-Methyloxazole-4-carboxylic acid

  • CAS No. 103879-58-9

  • Cat. No. CS-0019983
  • Molecule weight127.10
  • Purity≥98%
  • MDL No.MFCD08056309

*For research and further manufacturing use only, not for direct human use.

5-Methyloxazole-4-carboxylic acid|CS-0019983

Structure of 103879-58-9

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General Information

  • CAS No. 103879-58-9
  • Cat. No. CS-0019983
  • Purity ≥98%
  • MDL No. MFCD08056309
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅NO₃
  • Molecular Weight 127.10
  • Synonym(s) 5-Methyl-oxazole-4-carboxylic acid
  • SMILES O=C(C1=C(C)OC=N1)O

Description

5-Methyloxazole-4-carboxylic acid features a fused oxazole ring with a methyl group at the 5-position and a carboxylic acid at the 4-position, offering enhanced solubility and stability under standard conditions. This scaffold integrates readily into bioactive molecule design, particularly in medicinal chemistry campaigns targeting kinase inhibitors and heterocyclic scaffolds.

Application

5-Methyloxazole-4-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling efficient access to oxazole-based scaffolds prevalent in medicinal chemistry. Its carboxylic acid group facilitates direct coupling reactions, while the methyl substituent enhances metabolic stability and modulates electronic properties. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for scale-up and routine synthetic workflows.

Synthesis

  • Route1

    References

    • Doss, Raymond M.; Marques, Michael A.; Foister, Shane; Chenoweth, David M.; Dervan, Peter B. Journal of the American Chemical Society, 2006 , vol. 128, # 28 p. 9074 - 9079

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   0.68122
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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