S45
Summary
| Name: | (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine |
| Formula: | C13 H14 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 263.723 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine |
| OpenEye OEToolkits | 1.5.0 | (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc3ccc(c1nc(on1)C2CCCNC2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc(cc1)c2noc(n2)[C@@H]3CCCNC3 |
| SMILES | CACTVS | 3.341 | Clc1ccc(cc1)c2noc(n2)[CH]3CCCNC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2nc(on2)[C@@H]3CCCNC3)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2nc(on2)C3CCCNC3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C13H14ClN3O/c14-11-5-3-9(4-6-11)12-16-13(18-17-12)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | ROGHUOMPUVCGAA-SNVBAGLBSA-N |
