P6B
Summary
| Name: | (3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol |
| Formula: | C13 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 245.277 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol |
| OpenEye OEToolkits | 1.7.6 | (3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C3CN(Cc1onc(n1)c2ccccc2)CC3O |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3O2/c17-11-6-7-16(8-11)9-12-14-13(15-18-12)10-4-2-1-3-5-10/h1-5,11,17H,6-9H2/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | FQHRNVUXCKTULP-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CCN(C1)Cc2onc(n2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O[CH]1CCN(C1)Cc2onc(n2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2nc(on2)CN3CC[C@@H](C3)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2nc(on2)CN3CCC(C3)O |
