Cas no 61152-03-2 (4-Oxazolecarboxylic acid, 2-(4-fluorophenyl)-5-methyl-)

4-Oxazolecarboxylic acid, 2-(4-fluorophenyl)-5-methyl-, is a heterocyclic compound featuring an oxazole core substituted with a 4-fluorophenyl group at the 2-position and a methyl group at the 5-position. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of the fluorine atom enhances its potential as a building block for bioactive molecules, offering improved metabolic stability and binding affinity in drug design. Its carboxylic acid functionality allows for further derivatization, enabling the development of esters, amides, and other derivatives. The compound’s well-defined structure and purity ensure consistent performance in research and industrial applications.
4-Oxazolecarboxylic acid, 2-(4-fluorophenyl)-5-methyl- structure
61152-03-2 structure
Product Name:4-Oxazolecarboxylic acid, 2-(4-fluorophenyl)-5-methyl-
CAS No:61152-03-2
MF:C11H8FNO3
MW:221.184526443481
MDL:MFCD07379234
CID:490433
PubChem ID:6484245
Update Time:2025-06-09

4-Oxazolecarboxylic acid, 2-(4-fluorophenyl)-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 4-Oxazolecarboxylic acid, 2-(4-fluorophenyl)-5-methyl-
    • 2-(4-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
    • SCHEMBL9832175
    • DTXSID30424437
    • 2-(4-Fluorophenyl)-5-methyloxazole-4-carboxylic acid
    • SY324641
    • AKOS011518040
    • 61152-03-2
    • MDL: MFCD07379234
    • Inchi: 1S/C11H8FNO3/c1-6-9(11(14)15)13-10(16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
    • InChI Key: MLXXDYKWANPQNJ-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C1=NC(C(=O)O)=C(C)O1

Computed Properties

  • Exact Mass: 221.04884
  • Monoisotopic Mass: 221.04882128g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 266
  • 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: 2.4
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.33

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Additional information on 4-Oxazolecarboxylic acid, 2-(4-fluorophenyl)-5-methyl-

4-Oxazolecarboxylic Acid, 2-(4-Fluorophenyl)-5-Methyl-

The compound with CAS No. 61152-03-2, known as 4-Oxazolecarboxylic Acid, 2-(4-Fluorophenyl)-5-Methyl-, is a significant molecule in the field of organic chemistry and pharmaceutical research. This compound belongs to the class of oxazole derivatives, which have been extensively studied due to their unique chemical properties and potential applications in drug development.

Oxazolecarboxylic acids are known for their versatility in chemical reactions, making them valuable intermediates in the synthesis of various bioactive compounds. The presence of the fluorophenyl group in this molecule introduces additional electronic effects, enhancing its reactivity and making it a promising candidate for further functionalization. Recent studies have highlighted the role of such compounds in modulating cellular signaling pathways, particularly in the context of cancer therapy.

The structure of 4-Oxazolecarboxylic Acid, 2-(4-Fluorophenyl)-5-Methyl- consists of a central oxazole ring substituted with a carboxylic acid group at position 4 and a fluorophenyl group at position 2. The methyl group at position 5 adds steric bulk, which can influence the molecule's solubility and bioavailability. This structural arrangement has been shown to exhibit selective binding to certain protein targets, making it a potential lead compound for drug discovery.

Recent advancements in synthetic methodologies have enabled the efficient synthesis of this compound using environmentally friendly protocols. For instance, researchers have employed catalytic cross-coupling reactions to construct the fluorophenyl moiety with high precision. These methods not only enhance the yield but also reduce the environmental footprint associated with traditional synthetic routes.

In terms of applications, 4-Oxazolecarboxylic Acid, 2-(4-Fluorophenyl)-5-Methyl- has demonstrated potential in the development of anti-inflammatory agents and antioxidants. Its ability to scavenge free radicals makes it a candidate for use in cosmetic formulations aimed at combating oxidative stress. Additionally, preliminary pharmacokinetic studies suggest that this compound has favorable absorption profiles, which is crucial for its potential use as an oral medication.

The incorporation of fluorine atoms into organic molecules has been a focal point in medicinal chemistry due to their ability to modulate physicochemical properties such as lipophilicity and metabolic stability. In this compound, the fluorine atom on the phenyl ring contributes to enhanced metabolic stability, reducing the likelihood of rapid degradation in biological systems.

Recent research has also explored the use of oxazole derivatives as scaffolds for developing inhibitors of key enzymes involved in neurodegenerative diseases such as Alzheimer's and Parkinson's. The unique electronic environment provided by the oxazole ring facilitates interactions with enzyme active sites, making these compounds promising leads for therapeutic interventions.

In conclusion, 4-Oxazolecarboxylic Acid, 2-(4-Fluorophenyl)-5-Methyl- (CAS No. 61152-03-2) stands out as a versatile molecule with diverse applications across multiple fields. Its structural features and reactivity make it an invaluable tool for chemists and pharmacologists alike. As ongoing research continues to uncover new insights into its properties and potential uses, this compound is poised to play a significant role in future drug discovery efforts.

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