About 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[5-methyl-1-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[5-methyl-1-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 162002849) has the molecular formula C152H163F10N35O20S4
and a molecular weight of 3118.45 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[5-methyl-1-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
Frequently Asked Questions
What is the IUPAC name of 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[5-methyl-1-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[5-methyl-1-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 162002849) is 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[5-methyl-1-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[5-methyl-1-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[5-methyl-1-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is Cc1nc(-c2cc(-c3ccc(OC(C)(F)F)cc3)on2)nn1Cc1cccc(N2CCC(S(C)(=O)=O)CC2)c1.Cc1nc(-c2cc(-c3ccc(OC(C)(F)F)cc3)on2)nn1Cc1ccnc(N2CCC(S(C)(=O)=O)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(OCCCS(C)(=O)=O)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1cccc(S(=O)(=O)N2CCCC2)c1.Cc1nc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)nn1Cc1cccc(N2CCOCC2)c1.Cc1nc(-c2noc(-c3ccc(C(C)(C)C)cc3)n2)nn1Cc1cccc(N2CCN(C)CC2)c1.
What is the InChIKey of 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[5-methyl-1-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is YSLDOWBRKNPEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N5O4S.C27H33N7O.C26H28F2N6O4S.C26H30N6O2.C23H21F3N6O4S.C23H22F3N5O5S/c1-18-30-26(24-16-25(38-32-24)20-7-9-22(10-8-20)37-27(2,28)29)31-34(18)17-19-5-4-6-21(15-19)33-13-11-23(12-14-33)39(3,35)36;1-19-28-24(25-29-26(35-31-25)21-9-11-22(12-10-21)27(2,3)4)30-34(19)18-20-7-6-8-23(17-20)33-15-13-32(5)14-16-33;1-17-30-25(22-15-23(38-32-22)19-4-6-20(7-5-19)37-26(2,27)28)31-34(17)16-18-8-11-29-24(14-18)33-12-9-21(10-13-33)39(3,35)36;1-18-27-23(25-29-28-24(34-25)20-8-10-21(11-9-20)26(2,3)4)30-32(18)17-19-6-5-7-22(16-19)31-12-14-33-15-13-31;1-15-27-21(22-28-20(30-36-22)17-7-9-18(10-8-17)35-23(24,25)26)29-32(15)14-16-5-4-6-19(13-16)37(33,34)31-11-2-3-12-31;1-15-27-21(22-28-20(30-36-22)17-7-9-18(10-8-17)35-23(24,25)26)29-31(15)14-16-5-3-6-19(13-16)34-11-4-12-37(2,32)33/h4-10,15-16,23H,11-14,17H2,1-3H3;6-12,17H,13-16,18H2,1-5H3;4-8,11,14-15,21H,9-10,12-13,16H2,1-3H3;5-11,16H,12-15,17H2,1-4H3;4-10,13H,2-3,11-12,14H2,1H3;3,5-10,13H,4,11-12,14H2,1-2H3.
What are the key properties of 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[5-methyl-1-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[5-methyl-1-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 3118.45 g/mol, XLogP of 26.30, 43 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;5-[5-methyl-1-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[(3-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 162002849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).