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  • [Synonyms]
    104030-02-6
    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight310.34712 [g/mol]
    Molecular FormulaC18H18N2O3
    XLogP3.3
    H-Bond Donor1
    H-Bond Acceptor4
    Rotatable Bond Count5
    Tautomer Count2
    Exact Mass310.131742
    MonoIsotopic Mass310.131742
    Topological Polar Surface Area64.4
    Heavy Atom Count23
    Formal Charge0
    Complexity404
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: [1,3-benzoxazol-2-yl-(2-ethylphenyl)methyl] N-methylcarbamate
    Canonical SMILES: CCC1=CC=CC=C1C(C2=NC3=CC=CC=C3O2)OC(=O)NC
    InChI: InChI=1/C18H18N2O3/c1-3-12-8-4-5-9-13(12)16(23-18(21)19-2)17-20-14-10-6-
    7-11-15(14)22-17/h4-11,16H,3H2,1-2H3,(H,19,21)/f/h19H



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