| PDB CCD ID: | XO3 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H18 N2 O2 |
| InChI: | InChI=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 |
| InChIKey: | LNFPEBXLWIXQLF-STQMWFEESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C1NOC(=C1)[CH]2CCN[CH](C2)Cc3ccccc3 | | CACTVS 3.385 | O=C1NOC(=C1)[C@H]2CCN[C@H](C2)Cc3ccccc3 | | OpenEye OEToolkits 1.9.2 | c1ccc(cc1)C[C@H]2C[C@H](CCN2)C3=CC(=O)NO3 | | OpenEye OEToolkits 1.9.2 | c1ccc(cc1)CC2CC(CCN2)C3=CC(=O)NO3 | | ACDLabs 12.01 | O=C1C=C(ON1)C3CCNC(Cc2ccccc2)C3 |
|
| Name: | 5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one |
| ChEMBL: | CHEMBL3287849 |
| ZINC: | ZINC000098209612 |
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