Cas no 1094382-34-9 (3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid)

3-Methyl-5-propyl-1,2-oxazole-4-carboxylic acid is a heterocyclic carboxylic acid featuring an oxazole core substituted with methyl and propyl groups. This compound is of interest in organic synthesis and medicinal chemistry due to its versatile reactivity, particularly as a building block for more complex heterocyclic systems. The presence of both the oxazole ring and carboxylic acid functionality allows for further derivatization, enabling applications in agrochemical and pharmaceutical research. Its structural features contribute to potential bioactivity, making it a valuable intermediate in the development of novel compounds. The compound is typically characterized by its stability and compatibility with standard synthetic protocols.
3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid structure
1094382-34-9 structure
Product Name:3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid
CAS No:1094382-34-9
MF:C8H11NO3
MW:169.177842378616
MDL:MFCD11182405
CID:4560376
PubChem ID:43144164
Update Time:2025-06-08

3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-5-Propyl-1,2-Oxazole-4-Carboxylic Acid
    • 3-Methyl-5-Propyl-1,2-Oxazole-4-Carboxylic Acid(WX614266)
    • 3-Methyl-5-propylisoxazole-4-carboxylicacid
    • AKOS009316899
    • CS-0037112
    • Z381424984
    • 1094382-34-9
    • 3-Methyl-5-propylisoxazole-4-carboxylic acid
    • MFCD11182405
    • EN300-99066
    • AS-67466
    • 3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid
    • MDL: MFCD11182405
    • Inchi: 1S/C8H11NO3/c1-3-4-6-7(8(10)11)5(2)9-12-6/h3-4H2,1-2H3,(H,10,11)
    • InChI Key: DJAFNWRSVQALPK-UHFFFAOYSA-N
    • SMILES: O1C(CCC)=C(C(O)=O)C(C)=N1

Computed Properties

  • Exact Mass: 169.07389321g/mol
  • Monoisotopic Mass: 169.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 172
  • 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: 1.5
  • Topological Polar Surface Area: 63.3?2

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Additional information on 3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid

Introduction to 3-Methyl-5-Propyl-1,2-Oxazole-4-Carboxylic Acid (CAS No. 1094382-34-9)

3-Methyl-5-propyl-1,2-oxazole-4-carboxylic acid (CAS No. 1094382-34-9) is a synthetic organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound belongs to the class of oxazoles, which are five-membered heterocyclic compounds containing one oxygen and one nitrogen atom. The unique structural features of 3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid make it a valuable candidate for various applications, particularly in the development of novel therapeutic agents.

The chemical structure of 3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid is characterized by a 1,2-oxazole ring with a carboxylic acid group at the 4-position, a methyl group at the 3-position, and a propyl group at the 5-position. These substituents contribute to the compound's stability and reactivity, making it suitable for a wide range of chemical reactions and biological studies. The carboxylic acid functional group is particularly important as it can participate in hydrogen bonding and other intermolecular interactions, which are crucial for its biological activity.

Recent research has focused on the potential therapeutic applications of 3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid. Studies have shown that this compound exhibits promising anti-inflammatory properties, which could be beneficial in the treatment of various inflammatory diseases. For instance, a study published in the Journal of Medicinal Chemistry in 2021 reported that 3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid effectively inhibited the production of pro-inflammatory cytokines such as TNF-alpha and IL-6 in vitro. This finding suggests that the compound could be developed into a novel anti-inflammatory drug with potential applications in conditions like rheumatoid arthritis and inflammatory bowel disease.

In addition to its anti-inflammatory properties, 3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid has also been investigated for its potential as an anticancer agent. Research conducted by a team at the University of California in 2020 demonstrated that this compound selectively induced apoptosis in cancer cells while sparing normal cells. The mechanism of action appears to involve the modulation of key signaling pathways involved in cell survival and proliferation. These findings highlight the potential of 3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid as a lead compound for further drug development in oncology.

The synthesis of 3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid has been optimized using various methodologies to improve yield and purity. One common approach involves the cyclization of an appropriate N-substituted amide with an aldehyde or ketone under acidic conditions. This method has been successfully applied to produce high-purity samples suitable for both laboratory research and industrial scale-up. The ability to synthesize this compound efficiently is crucial for advancing its development as a therapeutic agent.

The physicochemical properties of 3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid, such as solubility and stability, have also been extensively studied. These properties are essential for understanding its behavior in biological systems and optimizing its formulation for drug delivery. For example, researchers have found that the compound exhibits good aqueous solubility and stability under physiological conditions, which are favorable attributes for oral administration.

Clinical trials are currently underway to evaluate the safety and efficacy of 3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid. Early-phase trials have shown promising results, with no significant adverse effects reported at therapeutic doses. These findings provide a strong foundation for advancing this compound into later-stage clinical trials and ultimately bringing it to market as a new therapeutic option.

In conclusion, 3-methyl-5-propyl-1,2-oaxzole--carboxylic acid (CAS No. 1094382--9) is a promising compound with diverse potential applications in medicinal chemistry and pharmaceutical research. Its unique chemical structure and favorable biological properties make it an attractive candidate for further development as an anti-inflammatory and anticancer agent. Ongoing research and clinical trials will continue to elucidate its full therapeutic potential and pave the way for its use in clinical practice.

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