Cas no 1190314-33-0 (2-cyclobutyl-1,3-oxazole-4-carboxylic acid)

2-cyclobutyl-1,3-oxazole-4-carboxylic acid structure
1190314-33-0 structure
Product Name:2-cyclobutyl-1,3-oxazole-4-carboxylic acid
CAS No:1190314-33-0
MF:C8H9NO3
MW:167.161962270737
CID:1064747
PubChem ID:53399655
Update Time:2025-07-23

2-cyclobutyl-1,3-oxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclobutyl-4-oxazolecarboxylic Acid
    • 2-cyclobutyl-1,3-oxazole-4-carboxylic acid
    • CS-0442102
    • DB-313895
    • 2-Cyclobutyloxazole-4-carboxylic acid
    • EN300-155303
    • AT39332
    • AKOS011516842
    • Z969117428
    • 1190314-33-0
    • 2-Cyclobutyloxazole-4-carboxylicacid
    • Inchi: 1S/C8H9NO3/c10-8(11)6-4-12-7(9-6)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
    • InChI Key: BHGYEFGSVNXEME-UHFFFAOYSA-N
    • SMILES: O1C=C(C(=O)O)N=C1C1CCC1

Computed Properties

  • Exact Mass: 167.058243149g/mol
  • Monoisotopic Mass: 167.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 191
  • 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: 1.3
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 335.0±15.0 °C at 760 mmHg
  • Flash Point: 156.4±20.4 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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Additional information on 2-cyclobutyl-1,3-oxazole-4-carboxylic acid

Introduction to 2-cyclobutyl-1,3-oxazole-4-carboxylic acid (CAS No. 1190314-33-0)

2-cyclobutyl-1,3-oxazole-4-carboxylic acid, identified by the Chemical Abstracts Service Number (CAS No.) 1190314-33-0, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the oxazole class, characterized by a five-membered ring containing one oxygen atom and two carbon atoms, with a cyclobutyl substituent attached to the ring. The carboxylic acid functional group at the 4-position enhances its reactivity and potential utility in synthetic chemistry and drug development.

The structural features of 2-cyclobutyl-1,3-oxazole-4-carboxylic acid make it a promising candidate for further exploration in medicinal chemistry. The cyclobutyl group introduces steric hindrance, which can influence the compound's interactions with biological targets, while the oxazole ring provides a scaffold that is commonly found in biologically active molecules. These structural elements contribute to its potential role in modulating various biological pathways.

In recent years, there has been growing interest in oxazole derivatives due to their diverse pharmacological properties. Oxazoles have been reported to exhibit antimicrobial, anti-inflammatory, and anticancer activities. The presence of the carboxylic acid moiety in 2-cyclobutyl-1,3-oxazole-4-carboxylic acid suggests that it may be a valuable intermediate in the synthesis of more complex molecules with enhanced biological activity. This compound could serve as a building block for the development of novel therapeutic agents targeting various diseases.

One of the key areas of research involving 2-cyclobutyl-1,3-oxazole-4-carboxylic acid is its potential application in the synthesis of protease inhibitors. Proteases are enzymes that play crucial roles in many biological processes, and their inhibition is often a strategy employed in drug design. The oxazole ring and the carboxylic acid group provide multiple sites for interaction with protease active sites, making this compound a promising candidate for further investigation.

Furthermore, the cyclobutyl substituent may enhance the metabolic stability of any derivatives synthesized from 2-cyclobutyl-1,3-oxazole-4-carboxylic acid, which is an important consideration in drug development. Metabolic stability is crucial for ensuring that a drug remains active in the body long enough to exert its therapeutic effect. The steric bulk introduced by the cyclobutyl group can also prevent unwanted interactions with non-target enzymes, thereby increasing the selectivity of any potential drug candidates derived from this compound.

Recent studies have also explored the use of oxazole derivatives as kinase inhibitors. Kinases are enzymes that play a key role in cell signaling pathways and are often implicated in various diseases, including cancer. The structural motif of 2-cyclobutyl-1,3-oxazole-4-carboxylic acid suggests that it may be able to interact with kinase active sites, potentially leading to the development of new anticancer agents. These studies highlight the importance of 2-cyclobutyl-1,3-oxazole-4-carboxylic acid as a versatile scaffold for drug discovery.

The synthesis of 2-cyclobutyl-1,3-oxazole-4-carboxylic acid involves multi-step organic reactions that require careful optimization to ensure high yield and purity. The introduction of the cyclobutyl group onto the oxazole ring necessitates precise control over reaction conditions to avoid unwanted side products. Advances in synthetic methodologies have made it possible to produce this compound more efficiently, which bodes well for its future applications in pharmaceutical research.

In conclusion, 2-cyclobutyl-1,3-oxazole-4-carboxylic acid (CAS No. 1190314-33-0) represents a significant area of interest in medicinal chemistry due to its unique structural features and potential biological activities. Its role as an intermediate in synthesizing novel therapeutic agents underscores its importance in drug discovery efforts. As research continues to uncover new applications for this compound, it is likely to remain a key player in the development of next-generation pharmaceuticals.

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