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    CAS 189028-95-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 189028-95-3, (s)-3-((s)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one, 2-oxazolidinone, 3-[(5s)-5-(4-fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-, (4s)-, Mfcd13194798, Ezetimibe intermediate-6, Schembl515189
    Molecular Formula
    C20H20FNO4
    Molecular Weight
    357.4  g/mol
    InChI Key
    AVAZNWOHQJYCEL-MSOLQXFVSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
    2.1.2 InChI
    InChI=1S/C20H20FNO4/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/h1-3,5-6,9-12,17-18,23H,4,7-8,13H2/t17-,18+/m1/s1
    2.1.3 InChI Key
    AVAZNWOHQJYCEL-MSOLQXFVSA-N
    2.1.4 Canonical SMILES
    C1C(N(C(=O)O1)C(=O)CCCC(C2=CC=C(C=C2)F)O)C3=CC=CC=C3
    2.1.5 Isomeric SMILES
    C1[C@@H](N(C(=O)O1)C(=O)CCC[C@@H](C2=CC=C(C=C2)F)O)C3=CC=CC=C3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 189028-95-3

    2. (s)-3-((s)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one

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

    4. Mfcd13194798

    5. Ezetimibe Intermediate-6

    6. Schembl515189

    7. Dtxsid50437685

    8. (s)-3-[(s)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-2-oxazolidinone

    9. Act07248

    10. Zinc22059525

    11. Akos015896433

    12. Ds-4317

    13. (4s)-4-phenyl-3-[(5s)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one

    14. Ac-26981

    15. Cs-0037017

    16. I11512

    17. 028f953

    18. (4s)-3-[(5s)-5-(4-fluoro-phenyl)-5-hydroxy-pentanoyl]-4-phenyl-oxazolidin-2-one

    19. (4s)-3-[(s)-5-hydroxy-5-(4-fluorophenyl)valeryl]-4beta-phenyloxazolidine-2-one

    20. 2-oxazolidinone,3-[(5s)-5-(4-fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-,(4s)-

    21. (4s)-3-[(5r)-5-(4-fluorophenyl)-5- Hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 357.4 g/mol
    Molecular Formula C20H20FNO4
    XLogP32.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass357.13763628 g/mol
    Monoisotopic Mass357.13763628 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity486
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1