Cas no 885331-17-9 ((1,3-oxazol-2-yl)methanamine)

(1,3-Oxazol-2-yl)methanamine is a heterocyclic amine compound featuring a 1,3-oxazole core with an aminomethyl substituent at the 2-position. This structure imparts versatility in organic synthesis, particularly in pharmaceutical and agrochemical applications, where it serves as a key intermediate or building block. The oxazole ring contributes to enhanced stability and reactivity, while the primary amine group enables further functionalization through amidation, condensation, or nucleophilic substitution reactions. Its balanced lipophilicity and electronic properties make it useful in drug discovery for modulating bioavailability and target interactions. The compound is typically handled under inert conditions due to the amine's sensitivity to oxidation. Proper storage and handling are recommended to maintain purity and reactivity.
(1,3-oxazol-2-yl)methanamine structure
(1,3-oxazol-2-yl)methanamine structure
Product Name:(1,3-oxazol-2-yl)methanamine
CAS No:885331-17-9
MF:C4H6N2O
MW:98.1032404899597
MDL:MFCD06738929
CID:711909
PubChem ID:18947655
Update Time:2025-10-15

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

Names and Identifiers

    • Oxazol-2-ylmethanamine
    • 1,3-oxazol-2-ylmethanamine
    • 2-Oxazolemethanamine
    • C4H6N2O
    • Oxazol-2-yl-methylamine
    • OXAZOL-2-YL-METHYLAMINE HYDROCHLORIDE
    • 2-AMINOMETHYL-OXAZOLE
    • C-Oxazol-2-yl-methylamine
    • Oxazol-2-ylmethylamine hydrochloride
    • (1,3-oxazol-2-yl)methanamine
    • OXAZOL-2-YL-METHYLAMINEHYDROCHLORIDE
    • 885331-17-9
    • 4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic?acid
    • DTXSID40596755
    • ZLKZGKDNYHEPFV-UHFFFAOYSA-N
    • oxazol-2-yl-methylamine, AldrichCPR
    • EN300-303373
    • MFCD04114925
    • 2-aminomethyloxazole
    • AKOS006282498
    • FT-0708923
    • 1,3-OXAZOL-2-YLMETHYLAMINE
    • Oxazol-2-ylmethylamine
    • BCP04231
    • (oxazol-2-yl)methylamine
    • OXAZOL-2-YLMETHYLAMINE HCL
    • 1-(1,3-OXAZOL-2-YL)METHANAMINE
    • AB19275
    • DB-003742
    • MDL: MFCD06738929
    • Inchi: 1S/C4H6N2O/c5-3-4-6-1-2-7-4/h1-2H,3,5H2
    • InChI Key: ZLKZGKDNYHEPFV-UHFFFAOYSA-N
    • SMILES: O1C=CN=C1CN

Computed Properties

  • Exact Mass: 98.04800
  • Monoisotopic Mass: 98.048012819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 57.7
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -0.8
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • PSA: 52.05000
  • LogP: 0.83360

(1,3-oxazol-2-yl)methanamine Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

(1,3-oxazol-2-yl)methanamine 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%

(1,3-oxazol-2-yl)methanamine Pricemore >>

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(1,3-oxazol-2-yl)methanamine Related Literature

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

Introduction to (1,3-oxazol-2-yl)methanamine (CAS No. 885331-17-9)

(1,3-oxazol-2-yl)methanamine, with the CAS number 885331-17-9, is a significant compound in the field of chemical and pharmaceutical research. This heterocyclic amine derivative has garnered attention due to its unique structural properties and potential applications in medicinal chemistry. The oxazole ring, a key feature of this compound, contributes to its stability and reactivity, making it a valuable scaffold for drug development.

The compound's structure consists of an oxazole ring linked to a methanamine group. This configuration allows for diverse chemical modifications, enabling researchers to tailor its properties for specific applications. The oxazole ring is known for its ability to participate in hydrogen bonding and metal coordination, which are crucial for the design of bioactive molecules.

In recent years, there has been growing interest in oxazole derivatives due to their broad spectrum of biological activities. Studies have shown that these compounds exhibit antimicrobial, anti-inflammatory, and anticancer properties. The presence of the amine group in (1,3-oxazol-2-yl)methanamine enhances its potential as a pharmacophore, facilitating interactions with biological targets.

One of the most compelling aspects of (1,3-oxazol-2-yl)methanamine is its role in the development of novel therapeutic agents. Researchers have been exploring its use in synthesizing small-molecule inhibitors targeting various disease pathways. For instance, studies have demonstrated its efficacy in inhibiting enzymes involved in cancer progression. The compound's ability to modulate these enzymatic activities makes it a promising candidate for further investigation.

The synthesis of (1,3-oxazol-2-yl)methanamine involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies have been employed to improve yield and purity. Techniques such as catalytic hydrogenation and palladium-catalyzed cross-coupling reactions have been particularly useful in constructing the desired framework.

From a computational chemistry perspective, the molecular modeling of (1,3-oxazol-2-yl)methanamine has provided valuable insights into its interactions with biological targets. These studies have helped in understanding the binding modes and affinity of the compound towards specific receptors. This information is crucial for designing more effective drugs with improved pharmacokinetic profiles.

The pharmaceutical industry has shown considerable interest in developing derivatives of (1,3-oxazol-2-yl)methanamine for clinical applications. Preclinical studies have highlighted its potential in treating various conditions, including neurodegenerative diseases and autoimmune disorders. The compound's ability to cross the blood-brain barrier and exert targeted effects makes it an attractive option for drug development.

Environmental considerations also play a role in the research and application of (1,3-oxazol-2-yl)methanamine. Efforts are being made to develop sustainable synthetic routes that minimize waste and reduce environmental impact. Green chemistry principles are being integrated into the synthesis process to ensure that the production of this compound is both efficient and eco-friendly.

The future prospects of (1,3-oxazol-2-yl)methanamine are promising, with ongoing research aimed at uncovering new applications and improving existing ones. Collaborative efforts between academia and industry are essential to translate laboratory findings into viable therapeutic solutions. As our understanding of this compound grows, so does its potential to contribute to advancements in medicine and chemistry.

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