3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole

C218H222F14N52O26 — CID 158587725

IUPAC3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCOC(C)(C)CCOc1cccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)c1.COCCOc1cccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)c1.Cc1ccc(-c2nc(-c3nc(C)n(Cc4cccc(N5CCN(C)CC5)c4)n3)no2)cc1.Cc1ccc(-c2nc(-c3nc(C)n(Cc4cccc(N5CCOCC5)c4)n3)no2)cc1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(C#N)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(N2CCCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(N2CCOCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(OC2CCOCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(OC2COC2)c1
InChIInChI=1S/C26H25F2N7O2.C26H29F2N5O4.C25H25F2N5O4.C24H24F2N6O3.C24H24F2N6O2.C24H27N7O.C23H21F2N5O4.C23H23F2N5O4.C23H24N6O2/c1-17-30-24(25-31-23(33-37-25)20-6-8-22(9-7-20)36-26(2,27)28)32-35(17)16-19-4-3-5-21(14-19)34-12-10-18(15-29)11-13-34;1-17-29-23(24-30-22(32-37-24)19-9-11-20(12-10-19)36-26(4,27)28)31-33(17)16-18-7-6-8-21(15-18)35-14-13-25(2,3)34-5;1-16-28-23(24-29-22(31-36-24)18-6-8-20(9-7-18)35-25(2,26)27)30-32(16)15-17-4-3-5-21(14-17)34-19-10-12-33-13-11-19;1-16-27-22(23-28-21(30-35-23)18-6-8-20(9-7-18)34-24(2,25)26)29-32(16)15-17-4-3-5-19(14-17)31-10-12-33-13-11-31;1-16-27-22(29-32(16)15-17-6-5-7-19(14-17)31-12-3-4-13-31)23-28-21(30-34-23)18-8-10-20(11-9-18)33-24(2,25)26;1-17-7-9-20(10-8-17)24-26-23(28-32-24)22-25-18(2)31(27-22)16-19-5-4-6-21(15-19)30-13-11-29(3)12-14-30;1-14-26-21(28-30(14)11-15-4-3-5-18(10-15)32-19-12-31-13-19)22-27-20(29-34-22)16-6-8-17(9-7-16)33-23(2,24)25;1-15-26-21(28-30(15)14-16-5-4-6-19(13-16)32-12-11-31-3)22-27-20(29-34-22)17-7-9-18(10-8-17)33-23(2,24)25;1-16-6-8-19(9-7-16)23-25-22(27-31-23)21-24-17(2)29(26-21)15-18-4-3-5-20(14-18)28-10-12-30-13-11-28/h3-9,14,18H,10-13,16H2,1-2H3;6-12,15H,13-14,16H2,1-5H3;3-9,14,19H,10-13,15H2,1-2H3;3-9,14H,10-13,15H2,1-2H3;5-11,14H,3-4,12-13,15H2,1-2H3;4-10,15H,11-14,16H2,1-3H3;3-10,19H,11-13H2,1-2H3;4-10,13H,11-12,14H2,1-3H3;3-9,14H,10-13,15H2,1-2H3
InChIKeyHUAPJNNJUMZNPH-UHFFFAOYSA-N
MW4252.48 g/mol
LogP40.04
Rot. Bonds68

About 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole

3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 158587725) has the molecular formula C218H222F14N52O26 and a molecular weight of 4252.48 g/mol. Its IUPAC name is 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID158587725
Molecular FormulaC218H222F14N52O26
Molecular Weight4252.48 g/mol
Exact Mass4249.74
IUPAC Name3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCOC(C)(C)CCOc1cccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)c1.COCCOc1cccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)c1.Cc1ccc(-c2nc(-c3nc(C)n(Cc4cccc(N5CCN(C)CC5)c4)n3)no2)cc1.Cc1ccc(-c2nc(-c3nc(C)n(Cc4cccc(N5CCOCC5)c4)n3)no2)cc1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(C#N)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(N2CCCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(N2CCOCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(OC2CCOCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(OC2COC2)c1
InChIInChI=1S/C26H25F2N7O2.C26H29F2N5O4.C25H25F2N5O4.C24H24F2N6O3.C24H24F2N6O2.C24H27N7O.C23H21F2N5O4.C23H23F2N5O4.C23H24N6O2/c1-17-30-24(25-31-23(33-37-25)20-6-8-22(9-7-20)36-26(2,27)28)32-35(17)16-19-4-3-5-21(14-19)34-12-10-18(15-29)11-13-34;1-17-29-23(24-30-22(32-37-24)19-9-11-20(12-10-19)36-26(4,27)28)31-33(17)16-18-7-6-8-21(15-18)35-14-13-25(2,3)34-5;1-16-28-23(24-29-22(31-36-24)18-6-8-20(9-7-18)35-25(2,26)27)30-32(16)15-17-4-3-5-21(14-17)34-19-10-12-33-13-11-19;1-16-27-22(23-28-21(30-35-23)18-6-8-20(9-7-18)34-24(2,25)26)29-32(16)15-17-4-3-5-19(14-17)31-10-12-33-13-11-31;1-16-27-22(29-32(16)15-17-6-5-7-19(14-17)31-12-3-4-13-31)23-28-21(30-34-23)18-8-10-20(11-9-18)33-24(2,25)26;1-17-7-9-20(10-8-17)24-26-23(28-32-24)22-25-18(2)31(27-22)16-19-5-4-6-21(15-19)30-13-11-29(3)12-14-30;1-14-26-21(28-30(14)11-15-4-3-5-18(10-15)32-19-12-31-13-19)22-27-20(29-34-22)16-6-8-17(9-7-16)33-23(2,24)25;1-15-26-21(28-30(15)14-16-5-4-6-19(13-16)32-12-11-31-3)22-27-20(29-34-22)17-7-9-18(10-8-17)33-23(2,24)25;1-16-6-8-19(9-7-16)23-25-22(27-31-23)21-24-17(2)29(26-21)15-18-4-3-5-20(14-18)28-10-12-30-13-11-28/h3-9,14,18H,10-13,16H2,1-2H3;6-12,15H,13-14,16H2,1-5H3;3-9,14,19H,10-13,15H2,1-2H3;3-9,14H,10-13,15H2,1-2H3;5-11,14H,3-4,12-13,15H2,1-2H3;4-10,15H,11-14,16H2,1-3H3;3-10,19H,11-13H2,1-2H3;4-10,13H,11-12,14H2,1-3H3;3-9,14H,10-13,15H2,1-2H3
InChIKeyHUAPJNNJUMZNPH-UHFFFAOYSA-N
XLogP40.04
TPSA826.81 Ų
H-Bond Donors
H-Bond Acceptors78
Rotatable Bonds68
Heavy Atoms310
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004252.48
LogP ≤ 540.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1078

Analyze 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole (CID 158587725) is 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole is COC(C)(C)CCOc1cccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)c1.COCCOc1cccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)c1.Cc1ccc(-c2nc(-c3nc(C)n(Cc4cccc(N5CCN(C)CC5)c4)n3)no2)cc1.Cc1ccc(-c2nc(-c3nc(C)n(Cc4cccc(N5CCOCC5)c4)n3)no2)cc1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(N2CCC(C#N)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(N2CCCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(N2CCOCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(OC2CCOCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(OC2COC2)c1.
What is the InChIKey of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is HUAPJNNJUMZNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7O2.C26H29F2N5O4.C25H25F2N5O4.C24H24F2N6O3.C24H24F2N6O2.C24H27N7O.C23H21F2N5O4.C23H23F2N5O4.C23H24N6O2/c1-17-30-24(25-31-23(33-37-25)20-6-8-22(9-7-20)36-26(2,27)28)32-35(17)16-19-4-3-5-21(14-19)34-12-10-18(15-29)11-13-34;1-17-29-23(24-30-22(32-37-24)19-9-11-20(12-10-19)36-26(4,27)28)31-33(17)16-18-7-6-8-21(15-18)35-14-13-25(2,3)34-5;1-16-28-23(24-29-22(31-36-24)18-6-8-20(9-7-18)35-25(2,26)27)30-32(16)15-17-4-3-5-21(14-17)34-19-10-12-33-13-11-19;1-16-27-22(23-28-21(30-35-23)18-6-8-20(9-7-18)34-24(2,25)26)29-32(16)15-17-4-3-5-19(14-17)31-10-12-33-13-11-31;1-16-27-22(29-32(16)15-17-6-5-7-19(14-17)31-12-3-4-13-31)23-28-21(30-34-23)18-8-10-20(11-9-18)33-24(2,25)26;1-17-7-9-20(10-8-17)24-26-23(28-32-24)22-25-18(2)31(27-22)16-19-5-4-6-21(15-19)30-13-11-29(3)12-14-30;1-14-26-21(28-30(14)11-15-4-3-5-18(10-15)32-19-12-31-13-19)22-27-20(29-34-22)16-6-8-17(9-7-16)33-23(2,24)25;1-15-26-21(28-30(15)14-16-5-4-6-19(13-16)32-12-11-31-3)22-27-20(29-34-22)17-7-9-18(10-8-17)33-23(2,24)25;1-16-6-8-19(9-7-16)23-25-22(27-31-23)21-24-17(2)29(26-21)15-18-4-3-5-20(14-18)28-10-12-30-13-11-28/h3-9,14,18H,10-13,16H2,1-2H3;6-12,15H,13-14,16H2,1-5H3;3-9,14,19H,10-13,15H2,1-2H3;3-9,14H,10-13,15H2,1-2H3;5-11,14H,3-4,12-13,15H2,1-2H3;4-10,15H,11-14,16H2,1-3H3;3-10,19H,11-13H2,1-2H3;4-10,13H,11-12,14H2,1-3H3;3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 4252.48 g/mol, XLogP of 40.04, 68 rotatable bonds, 0 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(3-methoxy-3-methylbutoxy)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxan-4-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(oxetan-3-yloxy)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;1-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]piperidine-4-carbonitrile;4-[3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 158587725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).