Cas no 1206982-50-4 ((2-Ethyl-1,3-oxazol-5-yl)methanamine)

(2-Ethyl-1,3-oxazol-5-yl)methanamine is a heterocyclic amine featuring an oxazole core with an ethyl substituent at the 2-position and an aminomethyl group at the 5-position. This compound is of interest in medicinal chemistry and pharmaceutical research due to its potential as a versatile building block for the synthesis of bioactive molecules. The oxazole scaffold is known for its stability and ability to participate in hydrogen bonding, enhancing interactions with biological targets. The presence of the primary amine group allows for further functionalization, making it a valuable intermediate in the development of drug candidates, agrochemicals, or specialty chemicals. Its well-defined structure ensures reproducibility in synthetic applications.
(2-Ethyl-1,3-oxazol-5-yl)methanamine structure
1206982-50-4 structure
Product Name:(2-Ethyl-1,3-oxazol-5-yl)methanamine
CAS No:1206982-50-4
MF:C6H10N2O
MW:126.156401157379
MDL:MFCD16300702
CID:2354925
PubChem ID:82074647
Update Time:2025-06-30

(2-Ethyl-1,3-oxazol-5-yl)methanamine Chemical and Physical Properties

Names and Identifiers

    • (2-Ethyl-1,3-oxazol-5-yl)methanamine
    • AKOS022299849
    • 1-(2-ethyl-1,3-oxazol-5-yl)methanamine
    • 820-489-1
    • 2-Ethyl-5-oxazolemethanamine
    • 1206982-50-4
    • GYB98250
    • EN300-247794
    • MDL: MFCD16300702
    • Inchi: 1S/C6H10N2O/c1-2-6-8-4-5(3-7)9-6/h4H,2-3,7H2,1H3
    • InChI Key: ATAIERPZDPHGTC-UHFFFAOYSA-N
    • SMILES: O1C(=CN=C1CC)CN

Computed Properties

  • Exact Mass: 126.079312947Da
  • Monoisotopic Mass: 126.079312947Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 87.1
  • 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: 0.1
  • Topological Polar Surface Area: 52.1?2

Experimental Properties

  • Density: 1.066
  • Boiling Point: 203 oC
  • Flash Point: 76 oC

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Additional information on (2-Ethyl-1,3-oxazol-5-yl)methanamine

Introduction to (2-Ethyl-1,3-oxazol-5-yl)methanamine (CAS No 1206982-50-4)

Compound with the CAS number 1206982-50-4 and the product name (2-Ethyl-1,3-oxazol-5-yl)methanamine represents a significant area of interest in the field of pharmaceutical chemistry and bioorganic synthesis. This heterocyclic amine derivative has garnered attention due to its unique structural properties and potential applications in drug development. The compound belongs to the oxazole class of heterocycles, which are known for their broad spectrum of biological activities and utility in medicinal chemistry.

The molecular structure of (2-Ethyl-1,3-oxazol-5-yl)methanamine features a five-membered oxygen-containing ring system, which is a hallmark of oxazole derivatives. This ring system is further substituted with an ethyl group at the 2-position and a methanamine moiety at the 5-position. The presence of these functional groups imparts specific chemical reactivity and biological properties, making the compound a valuable scaffold for medicinal chemists.

In recent years, there has been a surge in research focused on developing novel heterocyclic compounds for therapeutic applications. Oxazole derivatives, in particular, have been extensively studied due to their ability to modulate various biological pathways. For instance, studies have shown that oxazole-based compounds can exhibit antimicrobial, anti-inflammatory, and anticancer properties. The structural features of (2-Ethyl-1,3-oxazol-5-yl)methanamine make it a promising candidate for further investigation in these areas.

One of the most compelling aspects of this compound is its potential as a kinase inhibitor. Kinases are enzymes that play a crucial role in cell signaling pathways and are often implicated in various diseases, including cancer. By inhibiting specific kinases, it may be possible to disrupt aberrant signaling cascades that contribute to disease progression. Preliminary studies have suggested that derivatives of oxazole can interact with kinase active sites, leading to potent inhibitory effects. The methanamine group in (2-Ethyl-1,3-oxazol-5-yl)methanamine could serve as a key interaction point with target proteins.

The synthesis of (2-Ethyl-1,3-oxazol-5-yl)methanamine involves multi-step organic transformations that highlight the versatility of heterocyclic chemistry. The introduction of the ethyl group and the methanamine moiety requires careful consideration of reaction conditions to ensure high yield and purity. Advances in synthetic methodologies have enabled more efficient and scalable production of such complex molecules, which is crucial for both academic research and industrial applications.

In addition to its potential therapeutic applications, (2-Ethyl-1,3-oxazol-5-yl)methanamine may also find utility in material science and agrochemicals. The unique electronic properties of oxazole derivatives make them suitable for designing novel materials with specific functionalities. For example, they can be incorporated into polymers or coatings to enhance thermal stability or mechanical strength. Furthermore, their biological activity suggests that they could be developed into new pesticides or herbicides that target specific pests while minimizing environmental impact.

The pharmacokinetic profile of any drug candidate is critical for its success in clinical settings. Research on related oxazole compounds has provided valuable insights into factors such as solubility, bioavailability, and metabolic stability. These findings can be applied to optimize the properties of (2-Ethyl-1,3-oxazol-5-yl)methanamine for better pharmacological performance. For instance, modifications to improve solubility could enhance drug delivery systems like nanoparticles or liposomes.

The role of computational chemistry in drug discovery cannot be overstated. Molecular modeling techniques have become indispensable tools for predicting the binding affinity and interaction modes of small molecules with biological targets. By leveraging these methods, researchers can design analogs of (2-Ethyl-1,3-oxazol-5-yl)methanamine with improved potency and selectivity. Such virtual screening approaches significantly reduce the time and cost associated with experimental synthesis and testing.

The regulatory landscape for new drug development is complex but essential for ensuring patient safety and efficacy. Regulatory agencies require extensive data on chemical structure elucidation, pharmacological activity, toxicology profiles, and manufacturing processes before approving a new drug. Companies investing in the development of compounds like (2-Ethyl-1,3-oxazol-5-yl)methanamine must navigate these requirements carefully to bring their products to market successfully.

In conclusion, (2-Ethyl-1,3-oxazol-5-yl)methanamine (CAS No 1206982) represents a fascinating compound with diverse potential applications across multiple industries. Its unique structural features make it an attractive scaffold for medicinal chemists seeking to develop novel therapeutics targeting various diseases. As research continues to uncover new biological activities and synthetic strategies for oxazole derivatives like this one; it is likely that we will see further advancements in both academic research and industrial applications.

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