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XO3

Summary
Name:5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one
Formula:C15 H18 N2 O2
Formal charge:0
Formula weight:258.316 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[(2R,4S)-2-benzylpiperidin-4-yl]-1,2-oxazol-3(2H)-one
OpenEye OEToolkits1.9.25-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C=C(ON1)C3CCNC(Cc2ccccc2)C3
InChIInChI1.03InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1
InChIKeyInChI1.03LNFPEBXLWIXQLF-STQMWFEESA-N
SMILES_CANONICALCACTVS3.385O=C1NOC(=C1)[C@H]2CCN[C@H](C2)Cc3ccccc3
SMILESCACTVS3.385O=C1NOC(=C1)[CH]2CCN[CH](C2)Cc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)C[C@H]2C[C@H](CCN2)C3=CC(=O)NO3
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)CC2CC(CCN2)C3=CC(=O)NO3

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PDB entries from 2024-04-24

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