3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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

C142H153F6N37O13 — CID 158273204

IUPAC3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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
SMILESCc1ccc(-c2nc(-c3nc(C)n(Cc4cccc(N(C)C)c4)n3)no2)cc1.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(OC2CCN(C)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(OCCCN(C)C)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(OCC(C)C)c1
InChIInChI=1S/C26H28F2N6O3.C25H28F2N6O3.C24H27N7O.C23H24F2N6O3.C23H24N6O2.C21H22N6O/c1-17-29-24(25-30-23(32-37-25)19-7-9-21(10-8-19)36-26(2,27)28)31-34(17)16-18-5-4-6-22(15-18)35-20-11-13-33(3)14-12-20;1-17-28-23(24-29-22(31-36-24)19-9-11-20(12-10-19)35-25(2,26)27)30-33(17)16-18-7-5-8-21(15-18)34-14-6-13-32(3)4;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(2)13-32-19-11-16(9-10-26-19)12-31-15(3)27-21(29-31)22-28-20(30-34-22)17-5-7-18(8-6-17)33-23(4,24)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;1-14-8-10-17(11-9-14)21-23-20(25-28-21)19-22-15(2)27(24-19)13-16-6-5-7-18(12-16)26(3)4/h4-10,15,20H,11-14,16H2,1-3H3;5,7-12,15H,6,13-14,16H2,1-4H3;4-10,15H,11-14,16H2,1-3H3;5-11,14H,12-13H2,1-4H3;3-9,14H,10-13,15H2,1-2H3;5-12H,13H2,1-4H3
InChIKeyGJHKNFUEFUWOCJ-UHFFFAOYSA-N
MW2700.02 g/mol
LogP24.90
Rot. Bonds43

About 3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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 158273204) has the molecular formula C142H153F6N37O13 and a molecular weight of 2700.02 g/mol. Its IUPAC name is 3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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 CID158273204
Molecular FormulaC142H153F6N37O13
Molecular Weight2700.02 g/mol
Exact Mass2698.24
IUPAC Name3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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
SMILESCc1ccc(-c2nc(-c3nc(C)n(Cc4cccc(N(C)C)c4)n3)no2)cc1.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(OC2CCN(C)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(OCCCN(C)C)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(OCC(C)C)c1
InChIInChI=1S/C26H28F2N6O3.C25H28F2N6O3.C24H27N7O.C23H24F2N6O3.C23H24N6O2.C21H22N6O/c1-17-29-24(25-30-23(32-37-25)19-7-9-21(10-8-19)36-26(2,27)28)31-34(17)16-18-5-4-6-22(15-18)35-20-11-13-33(3)14-12-20;1-17-28-23(24-29-22(31-36-24)19-9-11-20(12-10-19)35-25(2,26)27)30-33(17)16-18-7-5-8-21(15-18)34-14-6-13-32(3)4;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(2)13-32-19-11-16(9-10-26-19)12-31-15(3)27-21(29-31)22-28-20(30-34-22)17-5-7-18(8-6-17)33-23(4,24)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;1-14-8-10-17(11-9-14)21-23-20(25-28-21)19-22-15(2)27(24-19)13-16-6-5-7-18(12-16)26(3)4/h4-10,15,20H,11-14,16H2,1-3H3;5,7-12,15H,6,13-14,16H2,1-4H3;4-10,15H,11-14,16H2,1-3H3;5-11,14H,12-13H2,1-4H3;3-9,14H,10-13,15H2,1-2H3;5-12H,13H2,1-4H3
InChIKeyGJHKNFUEFUWOCJ-UHFFFAOYSA-N
XLogP24.90
TPSA514.72 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds43
Heavy Atoms198
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002700.02
LogP ≤ 524.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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 158273204) is 3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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 Cc1ccc(-c2nc(-c3nc(C)n(Cc4cccc(N(C)C)c4)n3)no2)cc1.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(OC2CCN(C)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(OCCCN(C)C)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(OCC(C)C)c1.
What is the InChIKey of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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 GJHKNFUEFUWOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O3.C25H28F2N6O3.C24H27N7O.C23H24F2N6O3.C23H24N6O2.C21H22N6O/c1-17-29-24(25-30-23(32-37-25)19-7-9-21(10-8-19)36-26(2,27)28)31-34(17)16-18-5-4-6-22(15-18)35-20-11-13-33(3)14-12-20;1-17-28-23(24-29-22(31-36-24)19-9-11-20(12-10-19)35-25(2,26)27)30-33(17)16-18-7-5-8-21(15-18)34-14-6-13-32(3)4;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(2)13-32-19-11-16(9-10-26-19)12-31-15(3)27-21(29-31)22-28-20(30-34-22)17-5-7-18(8-6-17)33-23(4,24)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;1-14-8-10-17(11-9-14)21-23-20(25-28-21)19-22-15(2)27(24-19)13-16-6-5-7-18(12-16)26(3)4/h4-10,15,20H,11-14,16H2,1-3H3;5,7-12,15H,6,13-14,16H2,1-4H3;4-10,15H,11-14,16H2,1-3H3;5-11,14H,12-13H2,1-4H3;3-9,14H,10-13,15H2,1-2H3;5-12H,13H2,1-4H3.
What are the key properties of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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 2700.02 g/mol, XLogP of 24.90, 43 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[[5-methyl-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazol-1-yl]methyl]aniline;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 158273204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).