ODR
Summary
| Name: | (1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol |
| Formula: | C15 H19 N O3 |
| Formal charge: | 0 |
| Formula weight: | 261.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol |
| OpenEye OEToolkits | 1.7.2 | (1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxy-phenyl]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2oc(c(c1cc(OCC)cc(c1)C(O)C)c2C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H19NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8,10,17H,5H2,1-4H3/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | AONNGYBECNOVTK-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOc1cc(cc(c1)c2c(C)onc2C)[C@@H](C)O |
| SMILES | CACTVS | 3.370 | CCOc1cc(cc(c1)c2c(C)onc2C)[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCOc1cc(cc(c1)[C@@H](C)O)c2c(noc2C)C |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCOc1cc(cc(c1)C(C)O)c2c(noc2C)C |
