W6M
Summary
| Name: | 3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid |
| Formula: | C12 H11 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 261.233 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(C(NCc1nc(C)no1)=O)cccc(C(O)=O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3O4/c1-7-14-10(19-15-7)6-13-11(16)8-3-2-4-9(5-8)12(17)18/h2-5H,6H2,1H3,(H,13,16)(H,17,18) |
| InChIKey | InChI | 1.03 | MSLQEHYKFTUMQL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1noc(CNC(=O)c2cccc(c2)C(O)=O)n1 |
| SMILES | CACTVS | 3.385 | Cc1noc(CNC(=O)c2cccc(c2)C(O)=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(on1)CNC(=O)c2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(on1)CNC(=O)c2cccc(c2)C(=O)O |
