A1DN7
Summary
| Name: | 5-[(4-bromo-1H-pyrazol-1-yl)methyl]-3-methyl-1,2-oxazole |
| Formula: | C8 H8 Br N3 O |
| Formal charge: | 0 |
| Formula weight: | 242.073 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-[(4-bromo-1H-pyrazol-1-yl)methyl]-3-methyl-1,2-oxazole |
| OpenEye OEToolkits | 3.1.0.0 | 5-[(4-bromanylpyrazol-1-yl)methyl]-3-methyl-1,2-oxazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1cc(Cn2ncc(Br)c2)on1 |
| InChI | InChI | 1.06 | InChI=1S/C8H8BrN3O/c1-6-2-8(13-11-6)5-12-4-7(9)3-10-12/h2-4H,5H2,1H3 |
| InChIKey | InChI | 1.06 | VVKONJIWHTXEPS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Cn2cc(Br)cn2)on1 |
| SMILES | CACTVS | 3.385 | Cc1cc(Cn2cc(Br)cn2)on1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(on1)Cn2cc(cn2)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(on1)Cn2cc(cn2)Br |
