02J
Summary
| Name: | 5-methyl-1,2-oxazole-3-carboxylic acid |
| Formula: | C5 H5 N O3 |
| Formal charge: | 0 |
| Formula weight: | 127.098 Da |
| Component type: | PEPTIDE-LIKE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methyl-1,2-oxazole-3-carboxylic acid |
| OpenEye OEToolkits | 1.7.2 | 5-methyl-1,2-oxazole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1noc(c1)C |
| InChI | InChI | 1.03 | InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8) |
| InChIKey | InChI | 1.03 | BNMPIJWVMVNSRD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1onc(c1)C(O)=O |
| SMILES | CACTVS | 3.370 | Cc1onc(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1cc(no1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1cc(no1)C(=O)O |
