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    N-((4-(3-chlorophenyl)-2-(trifluoromethyl)oxazol-5-yl)methyl)-2-(3-fluoro-4-(2-hydroxyethyl)-phenyl)propanamide manufacturers and suppliers on PharmaCompass

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    Chemistry

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    Also known as: Schembl17784970, Bdbm342116, Us9771359, ex-02
    Molecular Formula
    C22H19ClF4N2O3
    Molecular Weight
    470.8  g/mol
    InChI Key
    QDPXXMQWILREPB-UHFFFAOYSA-N
    N-((4-(3-chlorophenyl)-2-(trifluoromethyl)oxazol-5-yl)methyl)-2-(3-fluoro-4-(2-hydroxyethyl)-phenyl)propanamide
    1 2D Structure

    N-((4-(3-chlorophenyl)-2-(trifluoromethyl)oxazol-5-yl)methyl)-2-(3-fluoro-4-(2-hydroxyethyl)-phenyl)propanamide

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[[4-(3-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]-2-[3-fluoro-4-(2-hydroxyethyl)phenyl]propanamide
    2.1.2 InChI
    InChI=1S/C22H19ClF4N2O3/c1-12(14-6-5-13(7-8-30)17(24)10-14)20(31)28-11-18-19(15-3-2-4-16(23)9-15)29-21(32-18)22(25,26)27/h2-6,9-10,12,30H,7-8,11H2,1H3,(H,28,31)
    2.1.3 InChI Key
    QDPXXMQWILREPB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC(=C(C=C1)CCO)F)C(=O)NCC2=C(N=C(O2)C(F)(F)F)C3=CC(=CC=C3)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl17784970

    2. Bdbm342116

    3. Us9771359, Ex-02

    2.3 Create Date
    2016-08-06
    3 Chemical and Physical Properties
    Molecular Weight 470.8 g/mol
    Molecular Formula C22H19ClF4N2O3
    XLogP34.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area75.4
    Heavy Atom Count32
    Formal Charge0
    Complexity627
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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