105
Summary
| Name: | N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID |
| Synonyms: | CLOXACILLIN DERIVATIVE |
| Formula: | C12 H12 B Cl N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 294.499 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)methyl]boronic acid |
| OpenEye OEToolkits | 1.5.0 | [[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]methylboronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccccc1c2noc(c2C(=O)NCB(O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1onc(c2ccccc2Cl)c1C(=O)NCB(O)O |
| SMILES | CACTVS | 3.341 | Cc1onc(c2ccccc2Cl)c1C(=O)NCB(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B(CNC(=O)c1c(onc1c2ccccc2Cl)C)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | B(CNC(=O)c1c(onc1c2ccccc2Cl)C)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H12BClN2O4/c1-7-10(12(17)15-6-13(18)19)11(16-20-7)8-4-2-3-5-9(8)14/h2-5,18-19H,6H2,1H3,(H,15,17) |
| InChIKey | InChI | 1.03 | LSXNXXCBOPILJR-UHFFFAOYSA-N |
