E5T
Summary
| Name: | 3-[(~{R})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol |
| Formula: | C15 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 259.3 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[(~{R})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H17NO3/c1-8-14(9(2)19-16-8)11-5-12(7-13(17)6-11)15(18)10-3-4-10/h5-7,10,15,17-18H,3-4H2,1-2H3/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | USPBPHTUVMOACY-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1c2cc(O)cc(c2)[C@H](O)C3CC3 |
| SMILES | CACTVS | 3.385 | Cc1onc(C)c1c2cc(O)cc(c2)[CH](O)C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](C3CC3)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)c2cc(cc(c2)O)C(C3CC3)O |
