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    Chemistry

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    Also known as: 59908-70-2, Schembl70247, Chembl20957, Dtxsid50614555, Kguzrmoxecfuga-uhfffaoysa-n, Mfcd11156796
    Molecular Formula
    C8H7N3O
    Molecular Weight
    161.16  g/mol
    InChI Key
    KGUZRMOXECFUGA-UHFFFAOYSA-N
    CAS 59908-70-2
    1 2D Structure

    CAS 59908-70-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(1,2,4-oxadiazol-3-yl)aniline
    2.1.2 InChI
    InChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-12-11-8/h1-5H,9H2
    2.1.3 InChI Key
    KGUZRMOXECFUGA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C2=NOC=N2)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 59908-70-2

    2. Schembl70247

    3. Chembl20957

    4. Dtxsid50614555

    5. Kguzrmoxecfuga-uhfffaoysa-n

    6. Mfcd11156796

    7. Akos009186231

    8. Ab22802

    9. Sb18135

    10. 4-[1,2,4]oxadiazol-3-yl-phenylamine

    11. 4-([1,2,4]oxadiazol-3-yl)phenylamine

    12. 4-[1,2,4] Oxadiazol-3-yl-phenylamine

    13. 4-[1,2,4]-oxadiazol-3-yl-phenylamine

    14. As-44640

    15. 4-[1, 2, 4]oxadiazol-3-yl-phenylamine

    16. 4-[1, 2, 4]-oxadiazol-3-yl-phenylamine

    17. Cs-0157499

    18. Ft-0753484

    19. En300-66238

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 161.16 g/mol
    Molecular Formula C8H7N3O
    XLogP31.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area64.9
    Heavy Atom Count12
    Formal Charge0
    Complexity145
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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