Cas no 1245772-96-6 (2-5-(2-methylpropyl)-1,2-oxazol-3-ylacetonitrile)

2-5-(2-methylpropyl)-1,2-oxazol-3-ylacetonitrile structure
1245772-96-6 structure
Product Name:2-5-(2-methylpropyl)-1,2-oxazol-3-ylacetonitrile
CAS No:1245772-96-6
MF:C9H12N2O
MW:164.204381942749
MDL:MFCD18262351
CID:3160367
PubChem ID:50896750
Update Time:2025-04-21

2-5-(2-methylpropyl)-1,2-oxazol-3-ylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • (5-isobutylisoxazol-3-yl)acetonitrile
    • 2-5-(2-methylpropyl)-1,2-oxazol-3-ylacetonitrile
    • 2-(5-Isobutylisoxazol-3-yl)acetonitrile
    • STL584344
    • CS-0241352
    • EN300-232555
    • AKOS005169500
    • 2-[5-(2-methylpropyl)isoxazol-3-yl]ethanenitrile
    • 1245772-96-6
    • [5-(2-methylpropyl)-1,2-oxazol-3-yl]acetonitrile
    • 2-[5-(2-methylpropyl)-1,2-oxazol-3-yl]acetonitrile
    • VZB77296
    • MDL: MFCD18262351
    • Inchi: 1S/C9H12N2O/c1-7(2)5-9-6-8(3-4-10)11-12-9/h6-7H,3,5H2,1-2H3
    • InChI Key: DXMYCSGKLRBQJY-UHFFFAOYSA-N
    • SMILES: O1C(=CC(CC#N)=N1)CC(C)C

Computed Properties

  • Exact Mass: 164.094963011Da
  • Monoisotopic Mass: 164.094963011Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 182
  • 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: 1.7
  • Topological Polar Surface Area: 49.8?2

2-5-(2-methylpropyl)-1,2-oxazol-3-ylacetonitrile Pricemore >>

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