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    Contezolid

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Mrx-i, 1112968-42-9, Mrx-1, Contezolid [usan], B669m62elp, Chembl3287379
    Molecular Formula
    C18H15F3N4O4
    Molecular Weight
    408.3  g/mol
    InChI Key
    SULYVXZZUMRQAX-NSHDSACASA-N
    FDA UNII
    B669M62ELP
    MRX-I has been used in trials studying the treatment of Bacterial Infections.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5S)-5-[(1,2-oxazol-3-ylamino)methyl]-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
    2.1.2 InChI
    InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1
    2.1.3 InChI Key
    SULYVXZZUMRQAX-NSHDSACASA-N
    2.1.4 Canonical SMILES
    C1CN(C=CC1=O)C2=C(C=C(C(=C2F)F)N3CC(OC3=O)CNC4=NOC=C4)F
    2.1.5 Isomeric SMILES
    C1CN(C=CC1=O)C2=C(C=C(C(=C2F)F)N3C[C@@H](OC3=O)CNC4=NOC=C4)F
    2.2 Other Identifiers
    2.2.1 UNII
    B669M62ELP
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4(1h)-pyridinone, 2,3-dihydro-1-(2,3,6-trifluoro-4-((5s)-5-((3-isoxazolylamino)methyl)-2-oxo-3-oxazolidinyl)phenyl)-

    2. 5-((isoxazol-3-ylamino)methyl)-3-(2,3,5-trifluoro-4-(4-oxo-3,4-dihydropyridin-1(2h)-yl)phenyl)oxazolidin-2-one

    3. Mrx-i Compound

    2.3.2 Depositor-Supplied Synonyms

    1. Mrx-i

    2. 1112968-42-9

    3. Mrx-1

    4. Contezolid [usan]

    5. B669m62elp

    6. Chembl3287379

    7. (5s)-5-[(1,2-oxazol-3-ylamino)methyl]-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one

    8. (s)-5-((isoxazol-3-ylamino)methyl)-3-(2,3,5-trifluoro-4-(4-oxo-3,4-dihydropyridin-1(2h)-yl)phenyl)oxazolidin-2-one

    9. 4(1h)-pyridinone, 2,3-dihydro-1-(2,3,6-trifluoro-4-((5s)-5-((3-isoxazolylamino)methyl)-2-oxo-3-oxazolidinyl)phenyl)-

    10. Unii-b669m62elp

    11. Youxitai

    12. Contezolid [inn]

    13. Contezolid (usan/inn)

    14. Contezolid [who-dd]

    15. Schembl5945221

    16. Gtpl10795

    17. Bdbm50017203

    18. Db12796

    19. Hy-19915

    20. Cs-0016941

    21. D11297

    22. Q27274420

    23. 1-(2,3,6-trifluoro-4-((5s)-5-((1,2-oxazol-3-ylamino)methyl)-2-oxo-1,3-oxazolidin-3-yl)phenyl)-2,3-dihydropyridin-4(1h)-one

    24. 1-{2,3,6-trifluoro-4-[(5s)-5-{[(1,2-oxazol-3-yl)amino]methyl}-2-oxo-1,3-oxazolidin-3-yl]phenyl}-2,3-dihydropyridin-4(1h)-one

    25. Zc0

    2.4 Create Date
    2009-03-16
    3 Chemical and Physical Properties
    Molecular Weight 408.3 g/mol
    Molecular Formula C18H15F3N4O4
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count5
    Exact Mass408.10453946 g/mol
    Monoisotopic Mass408.10453946 g/mol
    Topological Polar Surface Area87.9 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity669
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1