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    CAS 480444-15-3 manufacturers and suppliers on PharmaCompass

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    CAS 480444-15-3

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    CAS 480444-15-3
    Also known as: 480444-15-3, Schembl502861, Ac-31765, E85223, A1-06765, (4s)-2-[2-(mesylamino)-3-methylphenyl]-4beta-isopropyl-2-oxazoline
    Molecular Formula
    C14H20N2O3S
    Molecular Weight
    296.39  g/mol
    InChI Key
    KCLDECJIUSCXOX-GFCCVEGCSA-N
    1 2D Structure

    CAS 480444-15-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[2-methyl-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide
    2.1.2 InChI
    InChI=1S/C14H20N2O3S/c1-9(2)12-8-19-14(15-12)11-7-5-6-10(3)13(11)16-20(4,17)18/h5-7,9,12,16H,8H2,1-4H3/t12-/m1/s1
    2.1.3 InChI Key
    KCLDECJIUSCXOX-GFCCVEGCSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=CC=C1)C2=NC(CO2)C(C)C)NS(=O)(=O)C
    2.1.5 Isomeric SMILES
    CC1=C(C(=CC=C1)C2=N[C@H](CO2)C(C)C)NS(=O)(=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 480444-15-3

    2. Schembl502861

    3. Ac-31765

    4. E85223

    5. A1-06765

    6. (4s)-2-[2-(mesylamino)-3-methylphenyl]-4beta-isopropyl-2-oxazoline

    7. N-[2-methyl-6-[(4s)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide

    8. (methanesulfonamide,n-[2-[(4s)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-6-methylphenyl]- )

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 296.39 g/mol
    Molecular Formula C14H20N2O3S
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass296.11946368 g/mol
    Monoisotopic Mass296.11946368 g/mol
    Topological Polar Surface Area76.1 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity467
    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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