About 4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;methane
4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;methane (PubChem CID 157179490) has the molecular formula C149H155F10N35O18S3
and a molecular weight of 3010.29 g/mol. Its IUPAC name is 4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;methane.
Frequently Asked Questions
What is the IUPAC name of 4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;methane?
The IUPAC name of 4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;methane (CID 157179490) is 4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;methane.
What is the SMILES notation for 4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;methane?
The canonical SMILES for 4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;methane is C.Cc1cccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)n1.Cc1nc(-c2cc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N2CCC(S(C)(=O)=O)CC2)c1.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(C)(F)F)cc3)no2)nn1Cc1ccc2ccccc2n1.Cc1nc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)nn1Cc1cccc(N2CCOCC2)c1.
What is the InChIKey of 4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;methane?
The InChIKey is AOKBKRYCORQJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N5O4S.2C26H28F2N6O4S.C26H30N6O2.C23H18F2N6O2.C20H18F2N6O2.CH4/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;1-17-30-25(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;1-17-30-25(23-15-22(32-38-23)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;1-14-26-21(29-31(14)13-17-10-7-15-5-3-4-6-19(15)27-17)22-28-20(30-33-22)16-8-11-18(12-9-16)32-23(2,24)25;1-12-5-4-6-15(23-12)11-28-13(2)24-18(26-28)19-25-17(27-30-19)14-7-9-16(10-8-14)29-20(3,21)22;/h4-10,15-16,23H,11-14,17H2,1-3H3;2*4-8,11,14-15,21H,9-10,12-13,16H2,1-3H3;5-11,16H,12-15,17H2,1-4H3;3-12H,13H2,1-2H3;4-10H,11H2,1-3H3;1H4.
What are the key properties of 4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;methane?
4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;methane has a molecular weight of 3010.29 g/mol, XLogP of 27.74, 41 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]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;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;methane is sourced from PubChem (CID 157179490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).