Cas no 10431-96-6 (4,5-Dihydro-2-(2-naphthalenyl)oxazole)

4,5-Dihydro-2-(2-naphthalenyl)oxazole is a heterocyclic compound featuring an oxazole ring fused with a naphthalene moiety. This structure imparts unique electronic and steric properties, making it valuable in organic synthesis and pharmaceutical research. The naphthalene group enhances aromatic interactions, while the oxazole ring contributes to its reactivity as a building block for more complex molecules. Its stability and well-defined reactivity profile make it suitable for applications in catalysis, material science, and medicinal chemistry. The compound is particularly useful in the development of fluorescent probes and ligands due to its conjugated system. High purity and consistent performance ensure reliability in research and industrial applications.
4,5-Dihydro-2-(2-naphthalenyl)oxazole structure
10431-96-6 structure
Product Name:4,5-Dihydro-2-(2-naphthalenyl)oxazole
CAS No:10431-96-6
MF:C13H11NO
MW:197.232543230057
CID:1142481
PubChem ID:12776826
Update Time:2025-06-07

4,5-Dihydro-2-(2-naphthalenyl)oxazole Chemical and Physical Properties

Names and Identifiers

    • Oxazole, 4,5-dihydro-2-(2-naphthalenyl)-
    • CHEMBL4104217
    • 2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole
    • 2-(Naphthalen-2-yl)-4,5-dihydrooxazole
    • SCHEMBL7059494
    • 10431-96-6
    • 2-(2-Naphthyl)-2-oxazoline
    • 4,5-Dihydro-2-(2-naphthalenyl)oxazole
    • Inchi: 1S/C13H11NO/c1-2-4-11-9-12(6-5-10(11)3-1)13-14-7-8-15-13/h1-6,9H,7-8H2
    • InChI Key: JBPBWSKDBJRSAU-UHFFFAOYSA-N
    • SMILES: O1CCN=C1C1C=CC2C=CC=CC=2C=1

Computed Properties

  • Exact Mass: 197.08413
  • Monoisotopic Mass: 197.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 261
  • 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: 2.7
  • Topological Polar Surface Area: 21.6?2

Experimental Properties

  • PSA: 21.59
  • LogP: 2.05220

4,5-Dihydro-2-(2-naphthalenyl)oxazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
O990253-2.5mg
4,5-Dihydro-2-(2-naphthalenyl)oxazole
10431-96-6
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$ 50.00 2022-06-03
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O990253-5mg
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5mg
$ 65.00 2022-06-03
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$ 210.00 2022-06-03

4,5-Dihydro-2-(2-naphthalenyl)oxazole Related Literature

Additional information on 4,5-Dihydro-2-(2-naphthalenyl)oxazole

Introduction to Oxazole, 4,5-dihydro-2-(2-naphthalenyl)- (CAS No. 10431-96-6)

Oxazole, 4,5-dihydro-2-(2-naphthalenyl)-, identified by its Chemical Abstracts Service (CAS) number 10431-96-6, is a significant heterocyclic compound that has garnered considerable attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the oxazole family, a class of heterocycles characterized by a five-membered ring containing one oxygen atom and two carbon atoms. The presence of a naphthalene moiety at the 2-position of the oxazole ring introduces unique electronic and steric properties, making it a valuable scaffold for designing novel bioactive molecules.

The structural motif of 4,5-dihydro-2-(2-naphthalenyl)-oxazole combines the inherent bioisosteric properties of the oxazole ring with the extended aromatic system of naphthalene. This combination has been exploited in various drug discovery campaigns due to its potential to modulate biological targets effectively. The oxazole ring is known for its ability to engage in hydrogen bonding and pi-stacking interactions, which are critical for binding affinity and selectivity in drug design. Additionally, the naphthalene group contributes to hydrophobicity and can influence the compound's solubility and metabolic stability.

In recent years, there has been a surge in research focused on developing new therapeutic agents based on oxazole derivatives. The 4,5-dihydro-2-(2-naphthalenyl)-oxazole scaffold has been explored for its potential applications in treating a range of diseases, including infectious diseases, inflammatory disorders, and neurological conditions. Its structural versatility allows for modifications at multiple positions, enabling the synthesis of a diverse library of analogs with tailored pharmacological profiles.

One of the most compelling aspects of Oxazole, 4,5-dihydro-2-(2-naphthalenyl)- (CAS No. 10431-96-6) is its role as a key intermediate in the synthesis of more complex pharmacophores. Researchers have leveraged this compound to develop inhibitors targeting enzymes such as kinases and proteases, which are often implicated in disease pathogenesis. For instance, derivatives of this scaffold have shown promise in preclinical studies as inhibitors of Janus kinases (JAKs), which play a crucial role in signal transduction pathways associated with inflammation and autoimmune diseases.

The naphthalene group in 4,5-dihydro-2-(2-naphthalenyl)-oxazole not only enhances the compound's binding affinity but also contributes to its pharmacokinetic properties. Studies have demonstrated that substituents on the naphthalene ring can significantly influence metabolic stability and oral bioavailability. This has led to the development of optimized derivatives that exhibit improved pharmacological activity while maintaining favorable pharmacokinetic profiles.

Advances in computational chemistry and molecular modeling have further accelerated the discovery process for Oxazole, 4,5-dihydro-2-(2-naphthalenyl)- (CAS No. 10431-96-6) derivatives. These tools allow researchers to predict binding modes and optimize molecular structures with high precision. By integrating experimental data with computational predictions, scientists can rapidly screen large libraries of compounds and identify promising candidates for further development.

Recent publications highlight the use of 4,5-dihydro-2-(2-naphthalenyl)-oxazole derivatives in addressing emerging therapeutic challenges. For example, researchers have investigated its potential as an antiviral agent by targeting viral proteases or polymerases. The ability of this scaffold to mimic natural substrates or inhibit critical enzymatic steps makes it an attractive candidate for developing treatments against RNA viruses such as influenza or coronaviruses.

The pharmaceutical industry has also shown interest in Oxazole, 4,5-dihydro-2-(2-naphthalenyl)- (CAS No. 10431-96-6) due to its potential as a lead compound for drug development. Several companies have initiated programs to synthesize and evaluate derivatives of this scaffold for treating neurological disorders such as Alzheimer's disease or Parkinson's disease. The oxazole ring's ability to interact with biological targets involved in neurodegeneration makes it a promising area for further exploration.

In conclusion,Oxazole, 4,5-dihydro-2-(2-naphthalenyl)- (CAS No. 10431-96-6) represents a versatile and potent scaffold with significant implications for drug discovery and development. Its unique structural features and biological activities make it an invaluable tool for medicinal chemists seeking to design novel therapeutic agents. As research continues to uncover new applications for this compound and its derivatives,Oxazole, 4,5-dihydro-2-(2-naphthalenyl)-oxazole is poised to play an increasingly important role in addressing some of today's most pressing medical challenges.

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