A1JE6
Summary
| Name: | (3~{R},5~{S})-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol |
| Formula: | C13 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 261.277 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R},5~{S})-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H15N3O3/c1-18-10-4-2-8(3-5-10)12-15-13(19-16-12)11-6-9(17)7-14-11/h2-5,9,11,14,17H,6-7H2,1H3/t9-,11+/m1/s1 |
| InChIKey | InChI | 1.06 | JTHXPLUWNAFDOP-KOLCDFICSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2noc(n2)[C@@H]3C[C@@H](O)CN3 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2noc(n2)[CH]3C[CH](O)CN3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)c2nc(on2)[C@@H]3C[C@H](CN3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)c2nc(on2)C3CC(CN3)O |
