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    Technical details about CAS 1214741-19-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 1214741-19-1

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    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 1214741-19-1, (3r,7ar)-3-(tert-butyl)-1,5-dioxohexahydropyrrolo[1,2-c]oxazole-7a-carbaldehyde, 3-(1,1-dimethylethyl)dihydro-1,5-dioxo-(3r,7ar)-1h,3h-pyrrolo[1,2-c]oxazole-7a(5h)carboxaldehyde, (3r,7ar)-3-tert-butyl-1,5-dioxo-6,7-dihydro-3h-pyrrolo[1,2-c][1,3]oxazole-7a-carbaldehyde, (3r,7ar)-3-(tert-butyl)-1,5-dioxodihydro-1h,3h-pyrrolo[1,2-c]oxazole-7a(5h)-carbaldehyde, Schembl15450151
    Molecular Formula
    C11H15NO4
    Molecular Weight
    225.24  g/mol
    InChI Key
    PBHXYYXEZQXDLB-LDYMZIIASA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,7aR)-3-tert-butyl-1,5-dioxo-6,7-dihydro-3H-pyrrolo[1,2-c][1,3]oxazole-7a-carbaldehyde
    2.1.2 InChI
    InChI=1S/C11H15NO4/c1-10(2,3)8-12-7(14)4-5-11(12,6-13)9(15)16-8/h6,8H,4-5H2,1-3H3/t8-,11-/m1/s1
    2.1.3 InChI Key
    PBHXYYXEZQXDLB-LDYMZIIASA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C1N2C(=O)CCC2(C(=O)O1)C=O
    2.1.5 Isomeric SMILES
    CC(C)(C)[C@@H]1N2C(=O)CC[C@]2(C(=O)O1)C=O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1214741-19-1

    2. (3r,7ar)-3-(tert-butyl)-1,5-dioxohexahydropyrrolo[1,2-c]oxazole-7a-carbaldehyde

    3. 3-(1,1-dimethylethyl)dihydro-1,5-dioxo-(3r,7ar)-1h,3h-pyrrolo[1,2-c]oxazole-7a(5h)carboxaldehyde

    4. (3r,7ar)-3-tert-butyl-1,5-dioxo-6,7-dihydro-3h-pyrrolo[1,2-c][1,3]oxazole-7a-carbaldehyde

    5. (3r,7ar)-3-(tert-butyl)-1,5-dioxodihydro-1h,3h-pyrrolo[1,2-c]oxazole-7a(5h)-carbaldehyde

    6. Schembl15450151

    7. Dtxsid301116073

    8. Mfcd20488025

    9. Zinc215637064

    10. Cs-w018464

    11. Ds-19901

    12. F18582

    13. A891681

    14. (3r,7ar)-3-(tert-butyl)-1,5-dioxohexahydropyrrolo[1,2-c]oxazole-7a-carboxaldehyde

    15. (3r,7ar)-3-(tert-butyl)dihydro-1,5-dioxo-1h,3h-pyrrolo[1,2-c]oxazol-7a(5h)-carbaldehyde

    16. (3r,7ar)-3-tert-butyl-1,5-dioxo-hexahydropyrrolo[1,2-c][1,3]oxazole-7a-carbaldehyde

    17. (3r,7ar)-3-(1,1-dimethylethyl)dihydro-1,5-dioxo-1h,3h-pyrrolo[1,2-c]oxazole-7a(5h)-carboxaldehyde

    2.3 Create Date
    2014-09-10
    3 Chemical and Physical Properties
    Molecular Weight 225.24 g/mol
    Molecular Formula C11H15NO4
    XLogP30.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass225.10010796 g/mol
    Monoisotopic Mass225.10010796 g/mol
    Topological Polar Surface Area63.7 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity371
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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