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    (4R,5R)-4-Methyl-5-Phenyl-2-Oxazolidinone manufacturers and suppliers on PharmaCompass

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    Chemistry

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    Also known as: 125133-96-2, (4r,5r)-4-methyl-5-phenyl-2-oxazolidinone, 2-oxazolidinone, 4-methyl-5-phenyl-, (4r,5r)-, Schembl6374631, Zinc155919, Akos006306336
    Molecular Formula
    C10H11NO2
    Molecular Weight
    177.20  g/mol
    InChI Key
    PPIBJOQGAJBQDF-APPZFPTMSA-N
    (4R,5R)-4-Methyl-5-Phenyl-2-Oxazolidinone
    1 2D Structure

    (4R,5R)-4-Methyl-5-Phenyl-2-Oxazolidinone

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
    2.1.2 InChI
    InChI=1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9+/m1/s1
    2.1.3 InChI Key
    PPIBJOQGAJBQDF-APPZFPTMSA-N
    2.1.4 Canonical SMILES
    CC1C(OC(=O)N1)C2=CC=CC=C2
    2.1.5 Isomeric SMILES
    C[C@@H]1[C@H](OC(=O)N1)C2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 125133-96-2

    2. (4r,5r)-4-methyl-5-phenyl-2-oxazolidinone

    3. 2-oxazolidinone, 4-methyl-5-phenyl-, (4r,5r)-

    4. Schembl6374631

    5. Zinc155919

    6. Akos006306336

    7. 4alpha-methyl-5beta-phenyloxazolidine-2-one

    8. (4r,5r)-4-methyl-5-phenyloxazolidin-2-one

    2.3 Create Date
    2006-05-23
    3 Chemical and Physical Properties
    Molecular Weight 177.20 g/mol
    Molecular Formula C10H11NO2
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass177.078978594 g/mol
    Monoisotopic Mass177.078978594 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity199
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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