5-(4-Methylphenyl)-3-[rel-(2R,3S)-3-(phenyl)-1-phthalimidoaziridin-2-yl]-1,2,4-oxadiazole

SpectraBase Compound ID	11Gxz7Ne9DX
InChI	InChI=1S/C25H18N4O3/c1-15-11-13-17(14-12-15)23-26-22(27-32-23)21-20(16-7-3-2-4-8-16)28(21)29-24(30)18-9-5-6-10-19(18)25(29)31/h2-14,20-21H,1H3/t20-,21+,28?/m0/s1
InChIKey	KGMBHPMRTUOMRY-PBJGFXAXSA-N Google Search
Mol Weight	422.44 g/mol
Molecular Formula	C25H18N4O3
Exact Mass	422.13789 g/mol

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SpectraBase Spectrum ID	JY0m2UA52HP
Name	5-(4-Methylphenyl)-3-[rel-(2R,3S)-3-(phenyl)-1-phthalimidoaziridin-2-yl]-1,2,4-oxadiazole
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	422.137890453 u
Formula	C25H18N4O3
InChI	InChI=1S/C25H18N4O3/c1-15-11-13-17(14-12-15)23-26-22(27-32-23)21-20(16-7-3-2-4-8-16)28(21)29-24(30)18-9-5-6-10-19(18)25(29)31/h2-14,20-21H,1H3/t20-,21+,28?/m0/s1
InChIKey	KGMBHPMRTUOMRY-PBJGFXAXSA-N
Molecular Weight	422.444 g/mol
SMILES	C1(N(N2[C@@](C=3N=C(C=4C=CC(=CC4)C)ON3)([C@@]2(C=2C=CC=CC2)[H])[H])C(C2=CC=CC=C12)=O)=O