HHY
Summary
| Name: | 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid |
| Formula: | C11 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 218.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid |
| OpenEye OEToolkits | 2.0.6 | 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)CCc1nnc(o1)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-13-11(16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15) |
| InChIKey | InChI | 1.03 | CUYMDSTYUZAYFH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1oc(nn1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1oc(nn1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2nnc(o2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2nnc(o2)CCC(=O)O |
