About 2-(4-bromophenoxy)-N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-6-fluoro-7-(trifluoromethyl)quinoxaline-2-carboxamide;N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]acetamide;N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]-6-(trifluoromethyl)quinoxaline-2-carboxamide
2-(4-bromophenoxy)-N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-6-fluoro-7-(trifluoromethyl)quinoxaline-2-carboxamide;N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]acetamide;N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]-6-(trifluoromethyl)quinoxaline-2-carboxamide (PubChem CID 164975569) has the molecular formula C119H126BrF25N22O30S2
and a molecular weight of 2963.43 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-6-fluoro-7-(trifluoromethyl)quinoxaline-2-carboxamide;N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]acetamide;N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]-6-(trifluoromethyl)quinoxaline-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-(4-bromophenoxy)-N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-6-fluoro-7-(trifluoromethyl)quinoxaline-2-carboxamide;N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]acetamide;N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]-6-(trifluoromethyl)quinoxaline-2-carboxamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-6-fluoro-7-(trifluoromethyl)quinoxaline-2-carboxamide;N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]acetamide;N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]-6-(trifluoromethyl)quinoxaline-2-carboxamide (CID 164975569) is 2-(4-bromophenoxy)-N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-6-fluoro-7-(trifluoromethyl)quinoxaline-2-carboxamide;N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]acetamide;N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]-6-(trifluoromethyl)quinoxaline-2-carboxamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-6-fluoro-7-(trifluoromethyl)quinoxaline-2-carboxamide;N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]acetamide;N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]-6-(trifluoromethyl)quinoxaline-2-carboxamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-6-fluoro-7-(trifluoromethyl)quinoxaline-2-carboxamide;N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]acetamide;N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]-6-(trifluoromethyl)quinoxaline-2-carboxamide is CC(F)(F)OCCOc1nnc([C@H]2CC[C@H](NC(=O)COc3ccc(Br)cc3)CO2)o1.CC(F)(F)OCCOc1nnc([C@H]2CC[C@H](NC(=O)COc3ccc(C(F)(F)F)c(F)c3)CO2)o1.CC(F)(F)OCCOc1nnc([C@H]2CC[C@H](NC(=O)c3cnc4cc(F)c(C(F)(F)F)cc4n3)CO2)o1.CCCOc1nnc([C@H]2CC[C@H](NC(=O)COc3ccc(C(F)(F)F)c(F)c3)CO2)s1.CCCOc1nnc([C@H]2CC[C@H](NC(=O)c3cnc4cc(C(F)(F)F)ccc4n3)CO2)s1.CCOCCOc1nnc([C@H]2CC[C@H](NC(=O)COc3ccc(C(F)(F)F)c(F)c3)CO2)o1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-6-fluoro-7-(trifluoromethyl)quinoxaline-2-carboxamide;N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]acetamide;N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]-6-(trifluoromethyl)quinoxaline-2-carboxamide?
The InChIKey is DSNADRSSPOQNEM-PPBJJVOXSA-N. The full InChI is InChI=1S/C21H19F6N5O5.C20H21F6N3O6.C20H23F4N3O6.C20H20F3N5O3S.C19H22BrF2N3O6.C19H21F4N3O4S/c1-20(23,24)36-5-4-34-19-32-31-18(37-19)16-3-2-10(9-35-16)29-17(33)15-8-28-13-7-12(22)11(21(25,26)27)6-14(13)30-15;1-19(22,23)34-7-6-31-18-29-28-17(35-18)15-5-2-11(9-33-15)27-16(30)10-32-12-3-4-13(14(21)8-12)20(24,25)26;1-2-29-7-8-30-19-27-26-18(33-19)16-6-3-12(10-32-16)25-17(28)11-31-13-4-5-14(15(21)9-13)20(22,23)24;1-2-7-30-19-28-27-18(32-19)16-6-4-12(10-31-16)25-17(29)15-9-24-14-8-11(20(21,22)23)3-5-13(14)26-15;1-19(21,22)30-9-8-27-18-25-24-17(31-18)15-7-4-13(10-29-15)23-16(26)11-28-14-5-2-12(20)3-6-14;1-2-7-28-18-26-25-17(31-18)15-6-3-11(9-30-15)24-16(27)10-29-12-4-5-13(14(20)8-12)19(21,22)23/h6-8,10,16H,2-5,9H2,1H3,(H,29,33);3-4,8,11,15H,2,5-7,9-10H2,1H3,(H,27,30);4-5,9,12,16H,2-3,6-8,10-11H2,1H3,(H,25,28);3,5,8-9,12,16H,2,4,6-7,10H2,1H3,(H,25,29);2-3,5-6,13,15H,4,7-11H2,1H3,(H,23,26);4-5,8,11,15H,2-3,6-7,9-10H2,1H3,(H,24,27)/t10-,16+;11-,15+;2*12-,16+;13-,15+;11-,15+/m000000/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-6-fluoro-7-(trifluoromethyl)quinoxaline-2-carboxamide;N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]acetamide;N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]-6-(trifluoromethyl)quinoxaline-2-carboxamide?
2-(4-bromophenoxy)-N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-6-fluoro-7-(trifluoromethyl)quinoxaline-2-carboxamide;N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]acetamide;N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]-6-(trifluoromethyl)quinoxaline-2-carboxamide has a molecular weight of 2963.43 g/mol, XLogP of 21.63, 52 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-6-fluoro-7-(trifluoromethyl)quinoxaline-2-carboxamide;N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]acetamide;N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]-6-(trifluoromethyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 164975569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).