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    CAS 189028-93-1

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 189028-93-1, (4s)-3-[5-(4-fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone, (s)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione, 1-(4-fluorophenyl)-5-[(4s)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione, 2-oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (4s)-, 3-[5-(1,5-dioxo-5-(p-fluophenylpentyl]-4(s)-phenyl-2-oxazolidinone
    Molecular Formula
    C20H18FNO4
    Molecular Weight
    355.4  g/mol
    InChI Key
    XXSSRSVXDNUAQX-QGZVFWFLSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione
    2.1.2 InChI
    InChI=1S/C20H18FNO4/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2/t17-/m1/s1
    2.1.3 InChI Key
    XXSSRSVXDNUAQX-QGZVFWFLSA-N
    2.1.4 Canonical SMILES
    C1C(N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
    2.1.5 Isomeric SMILES
    C1[C@@H](N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 189028-93-1

    2. (4s)-3-[5-(4-fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone

    3. (s)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione

    4. 1-(4-fluorophenyl)-5-[(4s)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione

    5. 2-oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (4s)-

    6. 3-[5-(1,5-dioxo-5-(p-fluophenylpentyl]-4(s)-phenyl-2-oxazolidinone

    7. Ezetimibeintermediate

    8. Mfcd08061377

    9. 1,5-pentanedione, 1-(4-fluorophenyl)-5-[(4s)-2-oxo-4-phenyl-3-oxazolidinyl]-

    10. Schembl1177723

    11. Dtxsid20458165

    12. Act07247

    13. Amy30629

    14. Bcp27351

    15. Sc3731

    16. Zinc21999755

    17. (4s)-3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-2-oxazolidinone

    18. (4s)-4-phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one

    19. Akos015896147

    20. Ac-1649

    21. As-17430

    22. Cs-0156598

    23. P2111

    24. 028f931

    25. J-501477

    26. (s)-3-[4-(4-fluorobenzoyl)-1-oxobutyl]-4-phenyloxazolidin-2-one

    27. 3-[5-(1,5-dioxo-5-(p-fluophenylpentyl]-4s-phenyl-2-oxazolidinone

    28. (4s)-3-(5-(4-fluorophenyl)-1,5-dioxophenyl)-4-phenyl-2-oxazolidinone

    29. (4s)-3-[5-(4-fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2- Oxazolidinone

    30. (s)-3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyloxazolidin-2-one

    31. (s)-4-phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-2-oxazolidinone

    32. (4s)-3-[1,5-dioxo-5-(4-fluorophenyl)pentyl]-4beta-phenyloxazolidine-2-one

    33. (5)-1-(4-fluoro-phenyl)-5-(2-oxo-4-phenyl-oxazolidin-3-yl)-pentane-1,5-dione

    34. (s)-1-(4-fluoro-phenyl)-5-(2-oxo-4-phenyl-oxazolidin-3-yl)-pentane-1,5-dione

    35. (s)-3-(5-(4-fluorophenyl)-5-oxopentanoyl)-4-phenyloxazolidin-2-one;(4s)-3-[5-(4-fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 355.4 g/mol
    Molecular Formula C20H18FNO4
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass355.12198622 g/mol
    Monoisotopic Mass355.12198622 g/mol
    Topological Polar Surface Area63.7 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity524
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1