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    Difamilast

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    2D Structure
    Also known as: Opa-15406, 937782-05-3, Difamilast [usan], T3u32glj0f, N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide, Benzamide, n-((2-(4-(difluoromethoxy)-3-(1-methylethoxy)phenyl)-4-oxazolyl)methyl)-2-ethoxy-
    Molecular Formula
    C23H24F2N2O5
    Molecular Weight
    446.4  g/mol
    InChI Key
    VFBILHPIHUPBPZ-UHFFFAOYSA-N
    FDA UNII
    T3U32GLJ0F
    Difamilast is under investigation in clinical trial NCT01702181 (A Safety Study to Evaluate the Use and Effectiveness of a Topical Ointment to Treat Adults With Atopic Dermatitis).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide
    2.1.2 InChI
    InChI=1S/C23H24F2N2O5/c1-4-29-18-8-6-5-7-17(18)21(28)26-12-16-13-30-22(27-16)15-9-10-19(32-23(24)25)20(11-15)31-14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,26,28)
    2.1.3 InChI Key
    VFBILHPIHUPBPZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=CC=CC=C1C(=O)NCC2=COC(=N2)C3=CC(=C(C=C3)OC(F)F)OC(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    T3U32GLJ0F
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Opa-15406

    2.3.2 Depositor-Supplied Synonyms

    1. Opa-15406

    2. 937782-05-3

    3. Difamilast [usan]

    4. T3u32glj0f

    5. N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide

    6. Benzamide, N-((2-(4-(difluoromethoxy)-3-(1-methylethoxy)phenyl)-4-oxazolyl)methyl)-2-ethoxy-

    7. Benzamide, N-[[2-[4-(difluoromethoxy)-3-(1-methylethoxy)phenyl]-4-oxazolyl]methyl]-2-ethoxy-

    8. Mm36

    9. Difamilast [inn]

    10. Difamilast [jan]

    11. Difamilast (jan/usan)

    12. Unii-t3u32glj0f

    13. Difamilast [who-dd]

    14. Gtpl9776

    15. Schembl4275421

    16. Chembl3989968

    17. Bdbm389126

    18. Db14987

    19. Usre46792, 352

    20. Example 352 [wo2007058338]

    21. Hy-109085

    22. D11314

    23. N-((2-(4-(difluoromethoxy)-3-isopropoxyphenyl)oxazol-4-yl)methyl)-2-ethoxybenzamide

    24. N-[2-(4-difluoromethoxy-3-isopropoxyphenyl)oxazol-4-ylmethyl]-2-ethoxybenzamide

    25. N-((2-(4-(difluoromethoxy)-3-(propan-2-yloxy)phenyl)-1,3-oxazol-4-yl)methyl)-2-ethoxybenzamide

    2.4 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 446.4 g/mol
    Molecular Formula C23H24F2N2O5
    XLogP34.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count10
    Exact Mass446.16532819 g/mol
    Monoisotopic Mass446.16532819 g/mol
    Topological Polar Surface Area82.8 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity583
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1