A1CPJ
Summary
| Name: | (3-anilino-1,2,4-oxadiazol-5-yl)methanol |
| Formula: | C9 H9 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 191.187 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3-anilino-1,2,4-oxadiazol-5-yl)methanol |
| OpenEye OEToolkits | 3.1.0.0 | (3-phenylazanyl-1,2,4-oxadiazol-5-yl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCc1nc(Nc2ccccc2)no1 |
| InChI | InChI | 1.06 | InChI=1S/C9H9N3O2/c13-6-8-11-9(12-14-8)10-7-4-2-1-3-5-7/h1-5,13H,6H2,(H,10,12) |
| InChIKey | InChI | 1.06 | XZVRWRZLJJLCBV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1onc(Nc2ccccc2)n1 |
| SMILES | CACTVS | 3.385 | OCc1onc(Nc2ccccc2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)Nc2nc(on2)CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)Nc2nc(on2)CO |
