1U3
Summary
| Name: | N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine |
| Formula: | C13 H11 Cl N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 294.69 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine |
| OpenEye OEToolkits | 1.7.6 | 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CNC(=O)c2c(onc2c1c(Cl)cccc1)C |
| InChI | InChI | 1.03 | InChI=1S/C13H11ClN2O4/c1-7-11(13(19)15-6-10(17)18)12(16-20-7)8-4-2-3-5-9(8)14/h2-5H,6H2,1H3,(H,15,19)(H,17,18) |
| InChIKey | InChI | 1.03 | NDCUMIWQWHIBAL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1onc(c2ccccc2Cl)c1C(=O)NCC(O)=O |
| SMILES | CACTVS | 3.370 | Cc1onc(c2ccccc2Cl)c1C(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(no1)c2ccccc2Cl)C(=O)NCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(no1)c2ccccc2Cl)C(=O)NCC(=O)O |
