Cas no 908856-66-6 (5-cyclohexyl-1,2-oxazole-3-carboxylic acid)

5-Cyclohexyl-1,2-oxazole-3-carboxylic acid is a heterocyclic carboxylic acid derivative featuring a cyclohexyl-substituted oxazole core. This compound is of interest in medicinal chemistry and organic synthesis due to its versatile reactivity, particularly as a building block for the development of pharmacologically active molecules. The oxazole ring provides a rigid scaffold, while the carboxylic acid moiety allows for further functionalization through amidation, esterification, or other derivatization reactions. The cyclohexyl group enhances lipophilicity, potentially improving membrane permeability in bioactive compounds. Its structural features make it a valuable intermediate for the design of inhibitors, ligands, or other specialized organic molecules. The compound is typically handled under standard laboratory conditions, with purity and stability being key considerations for synthetic applications.
5-cyclohexyl-1,2-oxazole-3-carboxylic acid structure
908856-66-6 structure
Product Name:5-cyclohexyl-1,2-oxazole-3-carboxylic acid
CAS No:908856-66-6
MF:C10H13NO3
MW:195.215122938156
MDL:MFCD07377302
CID:4719430
PubChem ID:21445302
Update Time:2025-05-23

5-cyclohexyl-1,2-oxazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-cyclohexylisoxazole-3-carboxylic acid
    • 5-cyclohexyl-1,2-oxazole-3-carboxylic acid
    • 5-cyclohexyl-isoxazole-3-carboxylic acid
    • SY267725
    • MDL: MFCD07377302
    • Inchi: 1S/C10H13NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13)
    • InChI Key: MUPJTIPMJXOUGX-UHFFFAOYSA-N
    • SMILES: O1C(=CC(C(=O)O)=N1)C1CCCCC1

Computed Properties

  • Exact Mass: 195.08954328 g/mol
  • Monoisotopic Mass: 195.08954328 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 213
  • 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: 2.5
  • Topological Polar Surface Area: 63.3
  • Molecular Weight: 195.21

5-cyclohexyl-1,2-oxazole-3-carboxylic acid Pricemore >>

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Additional information on 5-cyclohexyl-1,2-oxazole-3-carboxylic acid

5-Cyclohexyl-1,2-Oxazole-3-Carboxylic Acid: A Comprehensive Overview

The compound 5-cyclohexyl-1,2-oxazole-3-carboxylic acid, identified by the CAS number 908856-66-6, is a fascinating molecule with significant potential in various chemical and pharmaceutical applications. This compound belongs to the class of oxazole derivatives, which have been extensively studied due to their unique chemical properties and biological activities. The structure of 5-cyclohexyl-1,2-oxazole-3-carboxylic acid comprises a cyclohexyl group attached to the 5-position of the oxazole ring, along with a carboxylic acid group at the 3-position. This combination of functional groups imparts the molecule with versatile reactivity and functional versatility.

Recent studies have highlighted the importance of oxazole derivatives in drug discovery and development. The presence of the oxazole ring in 5-cyclohexyl-1,2-oxazole-3-carboxylic acid contributes to its ability to engage in hydrogen bonding and π-interactions, which are critical for molecular recognition and binding in biological systems. The cyclohexyl group adds steric bulk and hydrophobicity to the molecule, enhancing its solubility properties and potentially improving its bioavailability when used as a drug candidate.

In terms of synthesis, 5-cyclohexyl-1,2-oxazole-3-carboxylic acid can be prepared through various methods, including cyclization reactions involving amino acids or other suitable precursors. One notable approach involves the condensation of amines with carbonyl compounds under specific reaction conditions to form the oxazole ring. The introduction of the cyclohexyl group typically requires careful planning to ensure regioselectivity and optimal yields.

The biological activity of 5-cyclohexyl-1,2-oxazole-3-carboxylic acid has been explored in recent research studies. For instance, investigations into its anti-inflammatory and antioxidant properties have shown promising results, suggesting potential applications in treating conditions associated with oxidative stress and inflammation. Additionally, this compound has demonstrated moderate inhibitory activity against certain enzymes, making it a candidate for further exploration in enzyme-targeted therapies.

The pharmacokinetic profile of 5-cyclohexyl-1,2-oxazole-3-carboxylic acid is another area of interest for researchers. Studies have indicated that its hydrophobic nature may influence its absorption and distribution characteristics within the body. However, further research is needed to fully understand its pharmacokinetics and toxicity profiles before it can be considered for clinical use.

In conclusion, 5-cyclohexyl-1,2-oxazole-3-carboxylic acid, CAS number 908856

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