Cas no 344746-40-3 (3-(pentan-3-yl)-1,2-oxazol-5-amine)

3-(Pentan-3-yl)-1,2-oxazol-5-amine is a heterocyclic organic compound featuring an oxazole core substituted with an amine group at the 5-position and a pentan-3-yl group at the 3-position. This structure imparts unique reactivity and potential utility as an intermediate in pharmaceutical and agrochemical synthesis. The oxazole scaffold is known for its stability and versatility, while the amine functionality offers opportunities for further derivatization. The pentan-3-yl substituent may enhance lipophilicity, influencing solubility and bioavailability. This compound is of interest in medicinal chemistry for its potential role in designing bioactive molecules. Proper handling and storage under inert conditions are recommended to maintain stability.
3-(pentan-3-yl)-1,2-oxazol-5-amine structure
344746-40-3 structure
Product Name:3-(pentan-3-yl)-1,2-oxazol-5-amine
CAS No:344746-40-3
MF:C8H14N2O
MW:154.209561824799
MDL:MFCD10690494
CID:919226
PubChem ID:13168213
Update Time:2025-06-07

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

Names and Identifiers

    • 5-Isoxazolamine,3-(1-ethylpropyl)-(9CI)
    • CHEMBL4581746
    • CS-0238707
    • 3-(pentan-3-yl)-1,2-oxazol-5-amine
    • G53265
    • DB-284182
    • EN300-199700
    • 5-ISOXAZOLAMINE, 3-(1-ETHYLPROPYL)-
    • SCHEMBL23966695
    • 344746-40-3
    • AKOS009235338
    • 3-pentan-3-yl-1,2-oxazol-5-amine
    • 3-(Pentan-3-yl)isoxazol-5-amine
    • MDL: MFCD10690494
    • Inchi: 1S/C8H14N2O/c1-3-6(4-2)7-5-8(9)11-10-7/h5-6H,3-4,9H2,1-2H3
    • InChI Key: WATBXBFPSOTARH-UHFFFAOYSA-N
    • SMILES: O1C(=CC(C(CC)CC)=N1)N

Computed Properties

  • Exact Mass: 154.110613074g/mol
  • Monoisotopic Mass: 154.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 115
  • 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: 1.9
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 269.9±20.0 °C at 760 mmHg
  • Flash Point: 117.0±21.8 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

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

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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