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    Chemistry

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    Also known as: 934282-55-0, Azd2066, Pyridine, 4-(5-((1r)-1-(5-(3-chlorophenyl)-3-isoxazolyl)ethoxy)-4-methyl-4h-1,2,4-triazol-3-yl)-, Mq908y1zb2, Refchem:116033, 4-(5-((1r)-1-(5-(3-chlorophenyl)-1,2-oxazol-3-yl)ethoxy)-4-methyl-4h-1,2,4-triazol-3-yl)pyridine
    Molecular Formula
    C19H16ClN5O2
    Molecular Weight
    381.8  g/mol
    InChI Key
    SXWHYTICXCLKDG-GFCCVEGCSA-N
    FDA UNII
    MQ908Y1ZB2
    T10430
    1 2D Structure

    T10430

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2-oxazole
    2.1.2 InChI
    InChI=1S/C19H16ClN5O2/c1-12(16-11-17(27-24-16)14-4-3-5-15(20)10-14)26-19-23-22-18(25(19)2)13-6-8-21-9-7-13/h3-12H,1-2H3/t12-/m1/s1
    2.1.3 InChI Key
    SXWHYTICXCLKDG-GFCCVEGCSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    MQ908Y1ZB2
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Azd2066

    2.3.2 Depositor-Supplied Synonyms

    1. 934282-55-0

    2. Azd2066

    3. Pyridine, 4-(5-((1r)-1-(5-(3-chlorophenyl)-3-isoxazolyl)ethoxy)-4-methyl-4h-1,2,4-triazol-3-yl)-

    4. Mq908y1zb2

    5. Refchem:116033

    6. 4-(5-((1r)-1-(5-(3-chlorophenyl)-1,2-oxazol-3-yl)ethoxy)-4-methyl-4h-1,2,4-triazol-3-yl)pyridine

    7. Azd 2066

    8. 5-(3-chlorophenyl)-3-[(1r)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2-oxazole

    9. 5-(3-chlorophenyl)-3-[(1r)-1-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]oxy]ethyl]isoxazole

    10. Unii-mq908y1zb2

    11. Sxwhyticxclkdg-gfccvegcsa-n

    12. Orb1710352

    13. Schembl1848325

    14. Chembl3545164

    15. Azd 2066 [who-dd]

    16. Ex-a14548

    17. Mfcd22420281

    18. Akos027470229

    19. Db12644

    20. 4-[5-[(1r)-1-[5-(3-chlorophenyl)-3-isoxazolyl]ethoxy]-4-methyl-4h-1,2,4-triazol-3-yl]pyridine

    21. Da-71192

    22. Ms-33124

    23. Hy-110255

    24. Cs-0033120

    25. Ns00072120

    26. T10430

    27. Q27284176

    28. 4-(5-{(1r)-1-[5-(3-chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4h-1,2,4-triazol-3-yl)pyridine

    29. 4-[5-[(1r)-1-[5-(3-chlorophenyl)-3-isoxazolyl]ethoxy]-4-methyl-4h-1,2,4-triazol-3-yl]pyridine; Azd2066; Tt 001;

    2.4 Create Date
    2007-04-23
    3 Chemical and Physical Properties
    Molecular Weight 381.8 g/mol
    Molecular Formula C19H16ClN5O2
    XLogP33
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area78.9
    Heavy Atom Count27
    Formal Charge0
    Complexity481
    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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