OL1
Summary
| Name: | 7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol |
| Formula: | C21 H24 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 352.427 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol |
| OpenEye OEToolkits | 1.6.1 | 7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n3c(c1oc(nc1)C(O)(O)CCCCCCc2ccccc2)cccc3 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(O)(CCCCCCc1ccccc1)c2oc(cn2)c3ccccn3 |
| SMILES | CACTVS | 3.352 | OC(O)(CCCCCCc1ccccc1)c2oc(cn2)c3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccccn3)(O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccccn3)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C21H24N2O3/c24-21(25,14-8-2-1-4-10-17-11-5-3-6-12-17)20-23-16-19(26-20)18-13-7-9-15-22-18/h3,5-7,9,11-13,15-16,24-25H,1-2,4,8,10,14H2 |
| InChIKey | InChI | 1.03 | PUCSKUWLMPSADN-UHFFFAOYSA-N |
