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    Technical details about CAS 149524-45-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 149524-45-8

    PharmaCompass

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    2D Structure
    1. Also known as: 149524-45-8, (s)-n-((3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide, (s)-n-[3-(3-fluoro-4-iodophenyl)-2-oxo-oxazolidin-5-ylmethyl]acetamide, (s)-n-[3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-ylmethyl]acetamide, N-[[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide, Acetamide,n-[[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-5-oxazolidinyl]methyl]-
    Molecular Formula
    C12H12FIN2O3
    Molecular Weight
    378.14  g/mol
    InChI Key
    YLWDRZMLYRIMNV-VIFPVBQESA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
    2.1.2 InChI
    InChI=1S/C12H12FIN2O3/c1-7(17)15-5-9-6-16(12(18)19-9)8-2-3-11(14)10(13)4-8/h2-4,9H,5-6H2,1H3,(H,15,17)/t9-/m0/s1
    2.1.3 InChI Key
    YLWDRZMLYRIMNV-VIFPVBQESA-N
    2.1.4 Canonical SMILES
    CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)I)F
    2.1.5 Isomeric SMILES
    CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)I)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 149524-45-8

    2. (s)-n-((3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide

    3. (s)-n-[3-(3-fluoro-4-iodophenyl)-2-oxo-oxazolidin-5-ylmethyl]acetamide

    4. (s)-n-[3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-ylmethyl]acetamide

    5. N-[[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

    6. Acetamide,n-[[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-5-oxazolidinyl]methyl]-

    7. N-{[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide

    8. N-{[(5s)-3-{3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide

    9. Schembl1033023

    10. Dtxsid60459277

    11. Act05078

    12. Cs-m1500

    13. Mfcd09608095

    14. Zinc34650309

    15. Akos015909773

    16. As-37734

    17. Ft-0770861

    18. A910777

    19. (s)-n-[[3-(3-fluoro-4-iodophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide

    20. N-[3-(3-fluoro-4-iodo-phenyl)-2-oxo-oxazolidin-5(s)-ylmethyl]-acetamide

    21. (5s)-n-[3-(3-fluoro-4-iodo-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide

    22. (s)(-)-n-[[3-[4-iodo-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl] Acetamide

    23. (s)-(-)-n-[[3-[4-iodo-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide

    24. N-{[(5s)-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 378.14 g/mol
    Molecular Formula C12H12FIN2O3
    XLogP31.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass377.98767 g/mol
    Monoisotopic Mass377.98767 g/mol
    Topological Polar Surface Area58.6 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity369
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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