About 3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2,6-difluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-fluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindol-3-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-2H-1,2,4-oxadiazole-5-thione;3-[5-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2,6-difluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-fluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindol-3-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-2H-1,2,4-oxadiazole-5-thione;3-[5-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 165016196) has the molecular formula C159H144Cl8F9N27O23S
and a molecular weight of 3287.74 g/mol. Its IUPAC name is 3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2,6-difluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-fluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindol-3-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-2H-1,2,4-oxadiazole-5-thione;3-[5-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one.
Frequently Asked Questions
What is the IUPAC name of 3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2,6-difluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-fluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindol-3-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-2H-1,2,4-oxadiazole-5-thione;3-[5-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2,6-difluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-fluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindol-3-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-2H-1,2,4-oxadiazole-5-thione;3-[5-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one (CID 165016196) is 3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2,6-difluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-fluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindol-3-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-2H-1,2,4-oxadiazole-5-thione;3-[5-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2,6-difluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-fluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindol-3-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-2H-1,2,4-oxadiazole-5-thione;3-[5-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2,6-difluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-fluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindol-3-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-2H-1,2,4-oxadiazole-5-thione;3-[5-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one is Cn1cc(-c2noc(=O)[nH]2)c2cc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)ccc21.O=c1[nH]c(-c2c(F)cc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc2F)no1.O=c1[nH]c(-c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)c(F)c2)no1.O=c1[nH]c(-c2ccc(N3CCC(OCc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)CC3)cn2)no1.O=c1[nH]c(-c2ccc(N3CCC(OCc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)CC3)nc2)no1.S=c1nc(-c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc2)[nH]o1.
What is the InChIKey of 3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2,6-difluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-fluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindol-3-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-2H-1,2,4-oxadiazole-5-thione;3-[5-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is KLNKNEDYDKWROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27Cl2N5O4.C26H22Cl2F2N4O4.C26H23Cl2FN4O4.C26H24Cl2N4O3S.2C26H24F3N5O4/c1-35-14-20(28-32-29(37)40-34-28)19-13-17(7-8-24(19)35)36-11-9-18(10-12-36)38-15-21-26(33-39-27(21)16-5-6-16)25-22(30)3-2-4-23(25)31;27-17-2-1-3-18(28)21(17)23-16(24(37-32-23)13-4-5-13)12-36-15-6-8-34(9-7-15)14-10-19(29)22(20(30)11-14)25-31-26(35)38-33-25;27-18-2-1-3-19(28)22(18)23-17(24(36-31-23)14-4-5-14)13-35-16-8-10-33(11-9-16)21-7-6-15(12-20(21)29)25-30-26(34)37-32-25;27-20-2-1-3-21(28)22(20)23-19(24(34-30-23)15-4-5-15)14-33-18-10-12-32(13-11-18)17-8-6-16(7-9-17)25-29-26(36)35-31-25;27-26(28,29)20-4-2-1-3-18(20)22-19(23(37-32-22)15-5-6-15)14-36-17-9-11-34(12-10-17)16-7-8-21(30-13-16)24-31-25(35)38-33-24;27-26(28,29)20-4-2-1-3-18(20)22-19(23(37-32-22)15-5-6-15)14-36-17-9-11-34(12-10-17)21-8-7-16(13-30-21)24-31-25(35)38-33-24/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,32,34,37);1-3,10-11,13,15H,4-9,12H2,(H,31,33,35);1-3,6-7,12,14,16H,4-5,8-11,13H2,(H,30,32,34);1-3,6-9,15,18H,4-5,10-14H2,(H,29,31,36);2*1-4,7-8,13,15,17H,5-6,9-12,14H2,(H,31,33,35).
What are the key properties of 3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2,6-difluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-fluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindol-3-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-2H-1,2,4-oxadiazole-5-thione;3-[5-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2,6-difluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-fluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindol-3-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-2H-1,2,4-oxadiazole-5-thione;3-[5-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 3287.74 g/mol, XLogP of 36.82, 42 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2,6-difluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-fluorophenyl]-4H-1,2,4-oxadiazol-5-one;3-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindol-3-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-2H-1,2,4-oxadiazole-5-thione;3-[5-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 165016196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).