1HI
Summary
| Name: | 2-[(3S)-piperidin-3-yl]-1,3-benzoxazole |
| Formula: | C12 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 202.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(3~{S})-piperidin-3-yl]-1,3-benzoxazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14N2O/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | MNJITFGKRQIUJN-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CNC[C@H](C1)c2oc3ccccc3n2 |
| SMILES | CACTVS | 3.385 | C1CNC[CH](C1)c2oc3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(o2)[C@H]3CCCNC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(o2)C3CCCNC3 |
