E5Q
Summary
| Name: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol |
| Formula: | C17 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 296.321 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | RFDVEAHRRMEOHK-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1c2cc(O)cc(c2)[C@@H](O)c3cccnc3 |
| SMILES | CACTVS | 3.385 | Cc1onc(C)c1c2cc(O)cc(c2)[CH](O)c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3cccnc3)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3cccnc3)O |
