0YE
Summary
| Name: | 3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid |
| Formula: | C12 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 217.221 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid |
| OpenEye OEToolkits | 1.7.6 | 3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCc2onc(c1ccccc1)c2 |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO3/c14-12(15)7-6-10-8-11(13-16-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15) |
| InChIKey | InChI | 1.03 | QIBVLSLOHQJUNF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CCc1onc(c1)c2ccccc2 |
| SMILES | CACTVS | 3.370 | OC(=O)CCc1onc(c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2cc(on2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2cc(on2)CCC(=O)O |
