Cas no 898227-93-5 (5-ethyl-1,3-oxazole-4-carboxylic acid)

5-Ethyl-1,3-oxazole-4-carboxylic acid is a heterocyclic carboxylic acid derivative featuring an oxazole core substituted with an ethyl group at the 5-position. This compound is of interest in organic synthesis and pharmaceutical research due to its functionalized oxazole scaffold, which serves as a versatile intermediate for the development of bioactive molecules. The presence of both the carboxylic acid and oxazole moieties allows for further derivatization, enabling applications in medicinal chemistry, such as the synthesis of potential enzyme inhibitors or receptor modulators. Its well-defined structure and reactivity make it a valuable building block for constructing complex heterocyclic systems.
5-ethyl-1,3-oxazole-4-carboxylic acid structure
898227-93-5 structure
Product Name:5-ethyl-1,3-oxazole-4-carboxylic acid
CAS No:898227-93-5
MF:C6H7NO3
MW:141.124681711197
MDL:MFCD07376158
CID:706763
PubChem ID:28064054
Update Time:2025-10-30

5-ethyl-1,3-oxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Ethyloxazole-4-carboxylic acid
    • 4-Oxazolecarboxylicacid, 5-ethyl-
    • 5-ETHYL-1,3-OXAZOLE-4-CARBOXYLIC ACID
    • 4-Oxazolecarboxylicacid,5-ethyl
    • BS-35984
    • 5-Ethyloxazole-4-carboxylicacid
    • 898227-93-5
    • MFCD07376158
    • DTXSID10650898
    • 5-ethyl-1,3-oxazole-4-carboxylic acid, AldrichCPR
    • YKB22793
    • 5-Ethyl-1,3-oxazole-4-carboxylic acid x0.1h2o
    • EN300-83220
    • CLOYJOKTKPMQCH-UHFFFAOYSA-N
    • F8880-4064
    • AKOS010901643
    • Z838909122
    • AT12735
    • SCHEMBL1760311
    • 5-ethyl-1,3-oxazole-4-carboxylic acid
    • MDL: MFCD07376158
    • Inchi: 1S/C6H7NO3/c1-2-4-5(6(8)9)7-3-10-4/h3H,2H2,1H3,(H,8,9)
    • InChI Key: CLOYJOKTKPMQCH-UHFFFAOYSA-N
    • SMILES: O1C=NC(C(=O)O)=C1CC

Computed Properties

  • Exact Mass: 141.04300
  • Monoisotopic Mass: 141.042593085g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 137
  • 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
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.33000
  • LogP: 0.93520

5-ethyl-1,3-oxazole-4-carboxylic acid Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 5-ethyl-1,3-oxazole-4-carboxylic acid

Introduction to 5-ethyl-1,3-oxazole-4-carboxylic acid (CAS No. 898227-93-5)

5-ethyl-1,3-oxazole-4-carboxylic acid, identified by the Chemical Abstracts Service registry number 898227-93-5, is a heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the oxazole family, a class of molecules characterized by a five-membered ring containing one oxygen atom and two carbon atoms, which often exhibits remarkable biological activity. The presence of an ethyl group at the 5-position and a carboxylic acid moiety at the 4-position introduces unique functional properties that make this compound a valuable scaffold for drug discovery and development.

The structure of 5-ethyl-1,3-oxazole-4-carboxylic acid imparts distinct chemical and pharmacological characteristics. The oxazole ring itself is known for its stability and ability to engage in hydrogen bonding, making it a common motif in biologically active molecules. The carboxylic acid group not only serves as a site for further functionalization but also contributes to the compound's solubility and reactivity. The ethyl substituent at the 5-position modulates the electronic properties of the ring, influencing its interactions with biological targets.

In recent years, there has been growing interest in oxazole derivatives due to their diverse pharmacological profiles. Studies have demonstrated that oxazole-based compounds exhibit activities ranging from antimicrobial to anti-inflammatory effects. Specifically, 5-ethyl-1,3-oxazole-4-carboxylic acid has been investigated for its potential in modulating enzyme activity and receptor binding. Its unique structural features make it an attractive candidate for further exploration in medicinal chemistry.

One of the most compelling aspects of 5-ethyl-1,3-oxazole-4-carboxylic acid is its versatility as a building block in drug design. The carboxylic acid functionality can be readily converted into other pharmacophores such as esters, amides, or acyl chlorides, enabling the synthesis of a wide array of derivatives with tailored biological activities. This flexibility has made it a focal point in efforts to develop novel therapeutic agents.

Recent research has highlighted the potential of 5-ethyl-1,3-oxazole-4-carboxylic acid in addressing specific therapeutic challenges. For instance, studies have explored its interaction with enzymes involved in metabolic pathways relevant to diseases such as diabetes and cancer. The compound's ability to modulate these enzymes suggests its utility in developing treatments targeting these conditions. Additionally, its oxazole core has been shown to exhibit inhibitory effects on certain kinases, which are key targets in oncology research.

The synthesis of 5-ethyl-1,3-oxazole-4-carboxylic acid (CAS No. 898227-93-5) involves multi-step organic reactions that highlight the ingenuity of synthetic chemists. Traditional methods often employ cyclization reactions to construct the oxazole ring, followed by functional group transformations to introduce the ethyl and carboxylic acid moieties. Advances in synthetic methodologies have enabled more efficient and scalable production processes, making this compound more accessible for research purposes.

In terms of pharmacokinetic properties, 5-ethyl-1,3-oxazole-4-carboxylic acid demonstrates promising characteristics that are essential for drug development. Preliminary studies indicate good oral bioavailability and moderate metabolic stability, suggesting its potential for clinical translation. Furthermore, its solubility profile allows for formulation into various dosage forms, enhancing its therapeutic applicability.

The role of computational chemistry in understanding the behavior of 5-ethyl-1,3-oxazole-4-carboxylic acid cannot be overstated. Molecular modeling techniques have been employed to predict its binding affinity to biological targets and to rationalize its pharmacological effects. These computational approaches complement experimental studies by providing insights into the molecular interactions that underpin its biological activity.

Future directions in research on 5-ethyl-1,3-oxtaole - 4 - carboxylic acid (CAS No. 898227 - 93 - 5) include exploring its potential as an intermediate in the synthesis of more complex drug candidates. By leveraging its structural features and reactivity patterns, researchers aim to develop novel therapeutics with enhanced efficacy and reduced side effects. Collaborative efforts between academic institutions and pharmaceutical companies are likely to accelerate these endeavors.

The growing body of evidence supporting the utility of 5 - ethyl - 1 , 3 - oxazole - 4 - carboxylic acid underscores its significance in modern medicinal chemistry. As our understanding of biological pathways continues to expand, compounds like this one will play an increasingly important role in addressing unmet medical needs. Their unique structural features and versatile chemical properties make them indispensable tools for drug discovery and development.

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