3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone

C211H217F16N59O23 — CID 158503868

About 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone

3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone (PubChem CID 158503868) has the molecular formula C211H217F16N59O23 and a molecular weight of 4251.41 g/mol. Its IUPAC name is 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone.

Molecular Properties

• Compound Name: 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone
• PubChem CID: 158503868
• Molecular Formula: C211H217F16N59O23
• Molecular Weight: 4251.41 g/mol
• Exact Mass: 4248.74
• IUPAC Name: 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone
• SMILES: CCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.COCCCNC(=O)c1ccc(Cn2nc(-c3nc(-c4ccc(OC(F)(F)F)cc4)no3)nc2C)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(C(=O)N(C)C)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(C(=O)NCCO)c4)n3)n2)cc1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(CCCN(C)C)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(CCCN2CCCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(CCCN2CCOCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N(C)C)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(C(=O)N2CCN(C)CC2)cc1
• InChI: InChI=1S/C26H29F2N7O3.C26H29F2N7O2.C25H24F3N7O3.C24H23F3N6O4.C24H27F2N7O2.C22H22N6O3.C22H22N6O2.C21H21F2N7O2.C21H20F2N6O2/c1-18-30-24(25-31-23(33-38-25)20-5-7-22(8-6-20)37-26(2,27)28)32-35(18)17-19-9-10-29-21(16-19)4-3-11-34-12-14-36-15-13-34;1-18-30-24(25-31-23(33-37-25)20-7-9-22(10-8-20)36-26(2,27)28)32-35(18)17-19-11-12-29-21(16-19)6-5-15-34-13-3-4-14-34;1-16-29-22(23-30-21(32-38-23)18-7-9-20(10-8-18)37-25(26,27)28)31-35(16)15-17-3-5-19(6-4-17)24(36)34-13-11-33(2)12-14-34;1-15-29-21(23-30-20(32-37-23)17-8-10-19(11-9-17)36-24(25,26)27)31-33(15)14-16-4-6-18(7-5-16)22(34)28-12-3-13-35-2;1-16-28-22(30-33(16)15-17-11-12-27-19(14-17)6-5-13-32(3)4)23-29-21(31-35-23)18-7-9-20(10-8-18)34-24(2,25)26;1-14-6-8-17(9-7-14)19-25-22(31-27-19)20-24-15(2)28(26-20)13-16-4-3-5-18(12-16)21(30)23-10-11-29;1-14-8-10-17(11-9-14)19-24-21(30-26-19)20-23-15(2)28(25-20)13-16-6-5-7-18(12-16)22(29)27(3)4;1-13-25-19(27-30(13)12-14-9-10-24-17(11-14)29(3)4)20-26-18(28-32-20)15-5-7-16(8-6-15)31-21(2,22)23;1-4-16-11-14(9-10-24-16)12-29-13(2)25-19(27-29)20-26-18(28-31-20)15-5-7-17(8-6-15)30-21(3,22)23/h5-10,16H,3-4,11-15,17H2,1-2H3;7-12,16H,3-6,13-15,17H2,1-2H3;3-10H,11-15H2,1-2H3;4-11H,3,12-14H2,1-2H3,(H,28,34);7-12,14H,5-6,13,15H2,1-4H3;3-9,12,29H,10-11,13H2,1-2H3,(H,23,30);5-12H,13H2,1-4H3;5-11H,12H2,1-4H3;5-11H,4,12H2,1-3H3
• InChIKey: HKFRBVYAHQXHIE-UHFFFAOYSA-N
• XLogP: 34.51
• TPSA: 909.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 78
• Rotatable Bonds: 72
• Heavy Atoms: 309
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4251.41
LogP ≤ 5	34.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	78

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone?

The IUPAC name of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone (CID 158503868) is 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone.

What is the SMILES notation for 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone?

The canonical SMILES for 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone is CCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.COCCCNC(=O)c1ccc(Cn2nc(-c3nc(-c4ccc(OC(F)(F)F)cc4)no3)nc2C)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(C(=O)N(C)C)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(C(=O)NCCO)c4)n3)n2)cc1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(CCCN(C)C)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(CCCN2CCCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(CCCN2CCOCC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N(C)C)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(C(=O)N2CCN(C)CC2)cc1.

What is the InChIKey of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone?

The InChIKey is HKFRBVYAHQXHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O3.C26H29F2N7O2.C25H24F3N7O3.C24H23F3N6O4.C24H27F2N7O2.C22H22N6O3.C22H22N6O2.C21H21F2N7O2.C21H20F2N6O2/c1-18-30-24(25-31-23(33-38-25)20-5-7-22(8-6-20)37-26(2,27)28)32-35(18)17-19-9-10-29-21(16-19)4-3-11-34-12-14-36-15-13-34;1-18-30-24(25-31-23(33-37-25)20-7-9-22(10-8-20)36-26(2,27)28)32-35(18)17-19-11-12-29-21(16-19)6-5-15-34-13-3-4-14-34;1-16-29-22(23-30-21(32-38-23)18-7-9-20(10-8-18)37-25(26,27)28)31-35(16)15-17-3-5-19(6-4-17)24(36)34-13-11-33(2)12-14-34;1-15-29-21(23-30-20(32-37-23)17-8-10-19(11-9-17)36-24(25,26)27)31-33(15)14-16-4-6-18(7-5-16)22(34)28-12-3-13-35-2;1-16-28-22(30-33(16)15-17-11-12-27-19(14-17)6-5-13-32(3)4)23-29-21(31-35-23)18-7-9-20(10-8-18)34-24(2,25)26;1-14-6-8-17(9-7-14)19-25-22(31-27-19)20-24-15(2)28(26-20)13-16-4-3-5-18(12-16)21(30)23-10-11-29;1-14-8-10-17(11-9-14)19-24-21(30-26-19)20-23-15(2)28(25-20)13-16-6-5-7-18(12-16)22(29)27(3)4;1-13-25-19(27-30(13)12-14-9-10-24-17(11-14)29(3)4)20-26-18(28-32-20)15-5-7-16(8-6-15)31-21(2,22)23;1-4-16-11-14(9-10-24-16)12-29-13(2)25-19(27-29)20-26-18(28-31-20)15-5-7-17(8-6-15)30-21(3,22)23/h5-10,16H,3-4,11-15,17H2,1-2H3;7-12,16H,3-6,13-15,17H2,1-2H3;3-10H,11-15H2,1-2H3;4-11H,3,12-14H2,1-2H3,(H,28,34);7-12,14H,5-6,13,15H2,1-4H3;3-9,12,29H,10-11,13H2,1-2H3,(H,23,30);5-12H,13H2,1-4H3;5-11H,12H2,1-4H3;5-11H,4,12H2,1-3H3.

What are the key properties of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone?

3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone has a molecular weight of 4251.41 g/mol, XLogP of 34.51, 72 rotatable bonds, 3 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-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]-N,N-dimethylpropan-1-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N,N-dimethyl-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(2-hydroxyethyl)-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;N-(3-methoxypropyl)-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;(4-methylpiperazin-1-yl)-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 158503868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).