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    CAS 168828-82-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 168828-82-8, (5r)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-5-hydroxymethyl-2-oxazolidione, Pnu-100440, V7v7qjb5qj, ((r)-3-(3-fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl)methanol, (5r)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
    Molecular Formula
    C14H17FN2O4
    Molecular Weight
    296.29  g/mol
    InChI Key
    OLDRPBWULXUVTL-LLVKDONJSA-N
    FDA UNII
    V7V7QJB5QJ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
    2.1.2 InChI
    InChI=1S/C14H17FN2O4/c15-12-7-10(17-8-11(9-18)21-14(17)19)1-2-13(12)16-3-5-20-6-4-16/h1-2,7,11,18H,3-6,8-9H2/t11-/m1/s1
    2.1.3 InChI Key
    OLDRPBWULXUVTL-LLVKDONJSA-N
    2.1.4 Canonical SMILES
    C1COCCN1C2=C(C=C(C=C2)N3CC(OC3=O)CO)F
    2.1.5 Isomeric SMILES
    C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CO)F
    2.2 Other Identifiers
    2.2.1 UNII
    V7V7QJB5QJ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 168828-82-8

    2. (5r)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-5-hydroxymethyl-2-oxazolidione

    3. Pnu-100440

    4. V7v7qjb5qj

    5. ((r)-3-(3-fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl)methanol

    6. (5r)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

    7. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-(hydroxymethyl)-2-oxazolindinone

    8. (r)-5-(hydroxymethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

    9. (5r)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

    10. (5r)-3-(3-fluoro-4-morpholinophenyl)-5-(hydroxymethyl)oxazolidin-2-one

    11. (r)-5-(hydroxymethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one, (-)-

    12. 2-oxazolidinone, 3-(3-fluoro-4-(4-morpholinyl)phenyl)-5-(hydroxymethyl)-, (5r)-

    13. Unii-v7v7qjb5qj

    14. Mfcd06658241

    15. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-hydroxymethyl-2-oxazolidione

    16. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-(hydroxymethyl)-2-oxazolidinone

    17. Chembl596913

    18. Schembl2829206

    19. Dtxsid90441549

    20. Act01858

    21. Zinc21298212

    22. Akos005063828

    23. Akos015919719

    24. Ac-4277

    25. Ds-1756

    26. Cs-0030812

    27. 828f828

    28. Q-100203

    29. Q27291642

    30. 5(r)-hydroxymethyl-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

    31. (5r)-3-(3-fluoro-4-morpholinophenyl)-5-(hydroxymethyl)oxazolidine-2-one

    32. 5(r)-hydroxymethyl-3-(4-morpholino-3-fluoro-phenyl)oxazolidin-2-one

    33. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

    34. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-(hydroxymethyl)-2oxazolidinone

    35. (5r)-5-(hydroxymethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 296.29 g/mol
    Molecular Formula C14H17FN2O4
    XLogP30.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass296.11723519 g/mol
    Monoisotopic Mass296.11723519 g/mol
    Topological Polar Surface Area62.2 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity378
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1