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    2D Structure
    Also known as: 2159103-66-7, Navocaftor [inn], Navocaftor [usan], Glpg3067, Abbv-3067, Unii-w2f2xu189o
    Molecular Formula
    C15H11F3N4O5S
    Molecular Weight
    416.3  g/mol
    InChI Key
    WOXOLLSAICIZNO-UHFFFAOYSA-N
    FDA UNII
    W2F2XU189O
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [5-[3-amino-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-2-yl]-1,3,4-oxadiazol-2-yl]methanol
    2.1.2 InChI
    InChI=1S/C15H11F3N4O5S/c16-15(17,18)27-8-1-3-9(4-2-8)28(24,25)10-5-11(19)13(20-6-10)14-22-21-12(7-23)26-14/h1-6,23H,7,19H2
    2.1.3 InChI Key
    WOXOLLSAICIZNO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1OC(F)(F)F)S(=O)(=O)C2=CC(=C(N=C2)C3=NN=C(O3)CO)N
    2.2 Other Identifiers
    2.2.1 UNII
    W2F2XU189O
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2159103-66-7

    2. Navocaftor [inn]

    3. Navocaftor [usan]

    4. Glpg3067

    5. Abbv-3067

    6. Unii-w2f2xu189o

    7. W2f2xu189o

    8. Navocaftor [usan:inn]

    9. Glpg-3067

    10. Who 11090

    11. 1,3,4-oxadiazole-2-methanol, 5-(3-amino-5-((4-(trifluoromethoxy)phenyl)sulfonyl)-2-pyridinyl)-

    12. (5-(3-amino-5-((4-(trifluoromethoxy)phenyl)sulfonyl)pyridin-2-yl)-1,3,4-oxadiazol-2-yl)methanol

    13. [5-[3-amino-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-2-yl]-1,3,4-oxadiazol-2-yl]methanol

    14. Chembl4802150

    15. Schembl19666838

    16. Woxollsaicizno-uhfffaoysa-n

    17. Akos040757366

    18. Da-56020

    19. Ms-27234

    20. Hy-109152

    21. Cs-0116061

    22. G18325

    2.4 Create Date
    2018-01-29
    3 Chemical and Physical Properties
    Molecular Weight 416.3 g/mol
    Molecular Formula C15H11F3N4O5S
    XLogP30.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area150
    Heavy Atom Count28
    Formal Charge0
    Complexity624
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1