4FM
Summary
| Name: | 4-amino-N-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide |
| Formula: | C10 H9 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 252.657 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-N-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 4-azanyl-N-[(4-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc(c1)Cl)CNC(c2c(non2)N)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H9ClN4O2/c11-7-3-1-6(2-4-7)5-13-10(16)8-9(12)15-17-14-8/h1-4H,5H2,(H2,12,15)(H,13,16) |
| InChIKey | InChI | 1.03 | WIWIWZDRJHCWJZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nonc1C(=O)NCc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | Nc1nonc1C(=O)NCc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CNC(=O)c2c(non2)N)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CNC(=O)c2c(non2)N)Cl |
