041
Summary
| Name: | 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL |
| Formula: | C15 H10 F N O3 |
| Formal charge: | 0 |
| Formula weight: | 271.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol |
| OpenEye OEToolkits | 1.5.0 | 7-ethenyl-2-(3-fluoro-4-hydroxy-phenyl)-1,3-benzoxazol-5-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc3c(O)ccc(c1nc2cc(O)cc(c2o1)\C=C)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1cc(C=C)c2oc(nc2c1)c3ccc(O)c(F)c3 |
| SMILES | CACTVS | 3.341 | Oc1cc(C=C)c2oc(nc2c1)c3ccc(O)c(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2 |
| InChIKey | InChI | 1.03 | MQIMZDXIAHJKQP-UHFFFAOYSA-N |
