XNK
Summary
| Name: | 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol |
| Formula: | C14 H11 F N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 286.261 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol |
| OpenEye OEToolkits | 2.0.7 | 5-fluoranyl-2-[[[3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino]methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(CNc2ncccc2c2ncon2)c(O)c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H11FN4O2/c15-10-4-3-9(12(20)6-10)7-17-13-11(2-1-5-16-13)14-18-8-21-19-14/h1-6,8,20H,7H2,(H,16,17) |
| InChIKey | InChI | 1.06 | PKBBIWJHJGYQOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(F)ccc1CNc2ncccc2c3nocn3 |
| SMILES | CACTVS | 3.385 | Oc1cc(F)ccc1CNc2ncccc2c3nocn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)NCc2ccc(cc2O)F)c3ncon3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)NCc2ccc(cc2O)F)c3ncon3 |
