6AX
Summary
| Name: | 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine |
| Formula: | C9 H8 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 209.632 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine |
| OpenEye OEToolkits | 2.0.4 | 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(Cl)ccc(Cc1nnc(N)o1)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C9H8ClN3O/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13) |
| InChIKey | InChI | 1.03 | CSYAPQQQRVPGKN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1oc(Cc2ccc(Cl)cc2)nn1 |
| SMILES | CACTVS | 3.385 | Nc1oc(Cc2ccc(Cl)cc2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1Cc2nnc(o2)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1Cc2nnc(o2)N)Cl |
