WL6
Summary
| Name: | 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid |
| Formula: | C12 H11 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 266.68 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCc1nc(no1)c1ccc(Cl)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H11ClN2O3/c13-9-6-4-8(5-7-9)12-14-10(18-15-12)2-1-3-11(16)17/h4-7H,1-3H2,(H,16,17) |
| InChIKey | InChI | 1.06 | ROMPPAWVATWIKR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCc1onc(n1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)CCCc1onc(n1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2nc(on2)CCCC(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2nc(on2)CCCC(=O)O)Cl |
