V0R
Summary
Name: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-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 | 2.0.7 | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | 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-/m1/s1 |
InChIKey | InChI | 1.06 | RFDVEAHRRMEOHK-QGZVFWFLSA-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 | 2.0.7 | Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](c3cccnc3)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3cccnc3)O |