A1AK9
Summary
| Name: | 5-(4-methoxyphenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole |
| 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 | 5-(4-methoxyphenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole |
| OpenEye OEToolkits | 2.0.7 | 5-(4-methoxyphenyl)-3-[(3~{S})-pyrrolidin-3-yl]-1,2,4-oxadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc(cc1)c1nc(no1)C1CNCC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H15N3O2/c1-17-11-4-2-9(3-5-11)13-15-12(16-18-13)10-6-7-14-8-10/h2-5,10,14H,6-8H2,1H3/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | LCPXGPRZJSMWFF-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2onc(n2)[C@H]3CCNC3 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2onc(n2)[CH]3CCNC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)c2nc(no2)[C@H]3CCNC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)c2nc(no2)C3CCNC3 |
