Cas no 794566-79-3 (3-(cyclopentylmethyl)-1,2-oxazol-5-amine)

3-(cyclopentylmethyl)-1,2-oxazol-5-amine structure
794566-79-3 structure
Product Name:3-(cyclopentylmethyl)-1,2-oxazol-5-amine
CAS No:794566-79-3
MF:C9H14N2O
MW:166.220262050629
CID:556442
PubChem ID:33788077
Update Time:2025-07-17

3-(cyclopentylmethyl)-1,2-oxazol-5-amine Chemical and Physical Properties

Names and Identifiers

    • 5-Isoxazolamine,3-(cyclopentylmethyl)-
    • 5-Isoxazolamine,3-(cyclopentylmethyl)-(9CI)
    • 3-(Cyclopentylmethyl)-1,2-oxazol-5-amine
    • 794566-79-3
    • Z360168628
    • CS-0252956
    • 3-(Cyclopentylmethyl)isoxazol-5-amine
    • AKOS009237642
    • EN300-62106
    • SCHEMBL5782512
    • 3-(cyclopentylmethyl)-1,2-oxazol-5-amine
    • Inchi: 1S/C9H14N2O/c10-9-6-8(11-12-9)5-7-3-1-2-4-7/h6-7H,1-5,10H2
    • InChI Key: IITUTJRMEQASIT-UHFFFAOYSA-N
    • SMILES: O1C(=CC(CC2CCCC2)=N1)N

Computed Properties

  • Exact Mass: 166.110613074g/mol
  • Monoisotopic Mass: 166.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 146
  • 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: 52?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Melting Point: 67-69 °C
  • Boiling Point: 321.5±22.0 °C at 760 mmHg
  • Flash Point: 148.2±22.3 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

3-(cyclopentylmethyl)-1,2-oxazol-5-amine Security Information

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Additional information on 3-(cyclopentylmethyl)-1,2-oxazol-5-amine

Professional Introduction to 3-(cyclopentylmethyl)-1,2-oxazol-5-amine (CAS No. 794566-79-3)

3-(cyclopentylmethyl-1,2-oxazol-5-amine) is a significant compound in the realm of pharmaceutical chemistry, characterized by its unique structural and functional attributes. This heterocyclic amine derivative has garnered considerable attention due to its potential applications in drug development and medicinal chemistry. The compound, identified by the CAS number 794566-79-3, represents a promising candidate for further exploration in synthetic chemistry and biological activity studies.

The molecular structure of 3-(cyclopentylmethyl-1,2-oxazol-5-amine) incorporates a cyclopentylmethyl substituent attached to an oxazole ring, which is further functionalized with an amine group at the 5-position. This specific arrangement of functional groups imparts unique chemical properties that make it a valuable intermediate in the synthesis of more complex molecules. The oxazole core is particularly noteworthy, as it is a well-known pharmacophore in various therapeutic agents, exhibiting properties such as bioavailability and metabolic stability.

In recent years, there has been a surge in research focused on oxazole derivatives due to their diverse biological activities. Studies have demonstrated that oxazole-containing compounds often exhibit antimicrobial, anti-inflammatory, and anticancer properties. The presence of the amine group in 3-(cyclopentylmethyl-1,2-oxazol-5-amine) enhances its potential as a building block for pharmacological applications. The cyclopentylmethyl moiety contributes to the compound's lipophilicity, which can be advantageous in drug design for improving membrane permeability and oral bioavailability.

The synthesis of 3-(cyclopentylmethyl-1,2-oxazol-5-amine) involves multi-step organic reactions that require precise control over reaction conditions. The introduction of the cyclopentylmethyl group typically involves Friedel-Crafts alkylation or similar electrophilic substitution reactions on a precursor molecule. Subsequent functionalization of the oxazole ring with an amine group is achieved through nucleophilic substitution or condensation reactions. These synthetic pathways highlight the compound's versatility as a synthetic intermediate.

The pharmacological potential of 3-(cyclopentylmethyl-1,2-oxazol-5-amine) has been explored in several preclinical studies. Researchers have investigated its interactions with various biological targets, including enzymes and receptors relevant to human health and disease. Preliminary findings suggest that this compound may exhibit inhibitory effects on certain enzymes involved in inflammatory pathways, making it a candidate for therapeutic intervention in conditions such as rheumatoid arthritis or inflammatory bowel disease.

In addition to its potential therapeutic applications, 3-(cyclopentylmethyl-1,2-oxazol-5-amine) has shown promise in the field of material science. Its unique structural features make it suitable for use as a ligand or catalyst in various chemical reactions. The combination of the cyclopentylmethyl group and the oxazole ring provides steric and electronic properties that can influence reaction outcomes, making it an attractive candidate for designing novel catalytic systems.

The future directions of research on 3-(cyclopentylmethyl-1,2-oxazol-5-amine) are multifaceted. Further investigation into its pharmacological properties will be essential to elucidate its mechanisms of action and potential therapeutic benefits. Additionally, exploring its applications in synthetic chemistry and material science could lead to innovative solutions in drug development and industrial processes. As our understanding of molecular interactions continues to evolve, compounds like 3-(cyclopentylmethyl-1,2-\strong>oxazol\strong>-5-\strong>amine\strong>) will undoubtedly play a crucial role in advancing scientific knowledge and technological progress.

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