Cas no 45529-92-8 (4,5-Dimethyloxazol-2-amine)

4,5-Dimethyloxazol-2-amine is a heterocyclic organic compound featuring an oxazole core substituted with methyl groups at the 4 and 5 positions and an amine functional group at the 2 position. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of bioactive molecules. Its stability and reactivity enable efficient incorporation into more complex frameworks, such as antimicrobial or antiviral agents. The compound’s well-defined chemical properties and high purity ensure consistent performance in research and industrial applications. It is commonly utilized in medicinal chemistry for scaffold diversification and as a building block in targeted drug discovery efforts.
4,5-Dimethyloxazol-2-amine structure
4,5-Dimethyloxazol-2-amine structure
Product Name:4,5-Dimethyloxazol-2-amine
CAS No:45529-92-8
MF:C5H8N2O
MW:112.129820823669
MDL:MFCD06655295
CID:329057
PubChem ID:535870
Update Time:2025-06-15

4,5-Dimethyloxazol-2-amine Chemical and Physical Properties

Names and Identifiers

    • 4,5-Dimethyloxazol-2-amine
    • 2-Oxazolamine,4,5-dimethyl-
    • 4,5-DIMETHYL-1,3-OXAZOL-2-AMINE
    • 4,5-Dimethyl-1,3-oxazol-2-amine hydrochloride
    • 2-Amino-4,5-dimethyl-oxazol
    • 2-amino-4,5-dimethyloxazole
    • 2-Oxazolamine,4,5-dimethyl
    • 4,5-Dimethyl-oxazol-2-ylamin
    • 4,5-Dimethyl-oxazol-2-ylamine
    • FT-0698428
    • J-514102
    • AKOS000123004
    • Z85932429
    • BS-12793
    • DTXSID10196549
    • 45529-92-8
    • A20382
    • 2-Amino-4,5-dimethyl-oxazole
    • AB25421
    • 4,5-Dimethyl-2-oxazolamine
    • 2-Oxazolamine, 4,5-dimethyl-
    • EN300-12322
    • DIMETHYL-1,3-OXAZOL-2-AMINE
    • MFCD06655295
    • NS00031546
    • HMS1767H14
    • 4,5-dimethyl-1,3-oxazol-2-amine, AldrichCPR
    • F16841
    • EINECS 256-241-9
    • 4,5-Dimethyl-1,3-oxazol-2-amine #
    • 9267NSS2C9
    • SCHEMBL1100800
    • 2-oxazolamine, 4,5-dimethyl-, hydrochloride
    • ALBB-018184
    • DB-023610
    • MDL: MFCD06655295
    • Inchi: 1S/C5H8N2O/c1-3-4(2)8-5(6)7-3/h1-2H3,(H2,6,7)
    • InChI Key: VHZVSAXCIKCRAK-UHFFFAOYSA-N
    • SMILES: O1C(N)=NC(C)=C1C

Computed Properties

  • Exact Mass: 112.06400
  • Monoisotopic Mass: 112.063663
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 86.5
  • 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
  • Topological Polar Surface Area: 52
  • XLogP3: 0.8

Experimental Properties

  • Density: 1.118±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 78-79 oC (benzene )
  • Boiling Point: 90-110 oC (0.04 Torr)
  • Flash Point: 91.8±28.2 oC,
  • Refractive Index: 1.52
  • Solubility: Slightly soluble (29 g/l) (25 o C),
  • PSA: 52.05000
  • LogP: 1.45480
  • Vapor Pressure: 0.3±0.4 mmHg at 25°C

4,5-Dimethyloxazol-2-amine Security Information

4,5-Dimethyloxazol-2-amine Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4,5-Dimethyloxazol-2-amine Pricemore >>

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Additional information on 4,5-Dimethyloxazol-2-amine

Comprehensive Overview of 4,5-Dimethyloxazol-2-amine (CAS No. 45529-92-8): Properties, Applications, and Research Insights

4,5-Dimethyloxazol-2-amine (CAS No. 45529-92-8) is a heterocyclic organic compound featuring an oxazole ring substituted with two methyl groups at positions 4 and 5, and an amino group at position 2. This structure renders it a versatile intermediate in pharmaceutical and agrochemical research. The compound's molecular formula (C5H8N2O) and molecular weight (112.13 g/mol) make it a focal point for synthetic chemists exploring bioactive molecules and small-molecule inhibitors.

Recent studies highlight the growing interest in 4,5-Dimethyloxazol-2-amine due to its potential role in drug discovery, particularly in modulating enzyme activity and receptor binding. Researchers are investigating its derivatives for applications in neurological disorders and metabolic diseases, aligning with the surge in demand for precision medicine solutions. Its structural motif is also prevalent in natural product synthesis, attracting attention from both academia and industry.

From a synthetic chemistry perspective, CAS No. 45529-92-8 is valued for its reactivity in nucleophilic substitution and condensation reactions. Its amino-oxazole core serves as a building block for heterocyclic scaffolds, which are pivotal in designing kinase inhibitors and antimicrobial agents. The compound's solubility in polar solvents like ethanol and DMSO further enhances its utility in high-throughput screening assays.

Environmental and sustainability-focused research has also explored 4,5-Dimethyloxazol-2-amine as a candidate for green chemistry applications. Its potential use in biodegradable materials and catalysis aligns with global trends toward eco-friendly synthesis. Laboratories are optimizing microwave-assisted and flow chemistry techniques to reduce waste and energy consumption during its production.

In the context of analytical chemistry, CAS No. 45529-92-8 is characterized by techniques such as HPLC, NMR spectroscopy, and mass spectrometry. These methods ensure purity assessment and structural verification, critical for regulatory compliance in pharmaceutical manufacturing. The compound's stability under standard storage conditions (room temperature, inert atmosphere) further supports its industrial adoption.

Emerging discussions in scientific forums often link 4,5-Dimethyloxazol-2-amine to AI-driven drug design. Computational models leverage its pharmacophore features to predict ADMET properties (absorption, distribution, metabolism, excretion, toxicity), addressing a key challenge in preclinical development. This synergy between wet-lab experiments and in silico tools exemplifies modern cross-disciplinary innovation.

For suppliers and distributors, CAS No. 45529-92-8 is cataloged under categories like research chemicals and fine chemicals, with emphasis on batch-to-batch consistency and regulatory documentation. The compound's global market is driven by R&D investments in oncology and infectious disease therapeutics, reflecting broader healthcare priorities.

In summary, 4,5-Dimethyloxazol-2-amine (CAS No. 45529-92-8) exemplifies the intersection of fundamental chemistry and applied science. Its multifaceted applications—from medicinal chemistry to sustainable technology—underscore its relevance in addressing contemporary scientific challenges. Future research will likely expand its role in personalized therapeutics and material science, solidifying its position as a high-value compound.

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