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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate

C241H247F21N68O26S — CID 158226799

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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate

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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate (PubChem CID 158226799) has the molecular formula C241H247F21N68O26S and a molecular weight of 4943.10 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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate.

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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate
• PubChem CID: 158226799
• Molecular Formula: C241H247F21N68O26S
• Molecular Weight: 4943.10 g/mol
• Exact Mass: 4939.95
• 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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate
• SMILES: CC(=O)N1CCN(c2cc(Cn3nc(-c4nc(-c5ccc(OC(C)(F)F)cc5)no4)nc3C)ccn2)CC1.CCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4ccc(C(=O)N5CCN(C)CC5)cc4)n3)n2)cc1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cc[nH+]c(N2CCS(=O)(=O)CC2)c1.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)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(N(C)C)c1.O=C([O-])C(F)(F)F
• InChI: InChI=1S/C26H29F2N7O2.C26H25F2N7O2.C25H26F2N8O3.C25H27N7O2.C24H27F2N7O2.C24H24F2N6O3.C24H24F2N6O2.C23H23F2N7O4S.C21H21F2N7O2.C21H20F2N6O2.C2HF3O2/c1-18-30-24(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;1-17-30-24(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;1-16-29-23(24-30-22(32-38-24)19-4-6-20(7-5-19)37-25(3,26)27)31-35(16)15-18-8-9-28-21(14-18)34-12-10-33(11-13-34)17(2)36;1-17-4-8-20(9-5-17)22-27-24(34-29-22)23-26-18(2)32(28-23)16-19-6-10-21(11-7-19)25(33)31-14-12-30(3)13-15-31;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;1-16-27-22(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;1-15-27-21(22-28-20(30-36-22)17-3-5-18(6-4-17)35-23(2,24)25)29-32(15)14-16-7-8-26-19(13-16)31-9-11-37(33,34)12-10-31;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;3-2(4,5)1(6)7/h7-12,16H,3-6,13-15,17H2,1-2H3;3-9,14,18H,10-13,16H2,1-2H3;4-9,14H,10-13,15H2,1-3H3;4-11H,12-16H2,1-3H3;7-12,14H,5-6,13,15H2,1-4H3;3-9,14H,10-13,15H2,1-2H3;5-11,14H,3-4,12-13,15H2,1-2H3;3-8,13H,9-12,14H2,1-2H3;5-11H,12H2,1-4H3;5-11H,4,12H2,1-3H3;(H,6,7)
• InChIKey: RAPCYBDYVAFSFS-UHFFFAOYSA-N
• XLogP: 39.46
• TPSA: 1035.03 Ų
• H-Bond Acceptors: 91
• Rotatable Bonds: 74
• Heavy Atoms: 357
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4943.10
LogP ≤ 5	39.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	91

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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate?

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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate (CID 158226799) 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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate.

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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate?

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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate is CC(=O)N1CCN(c2cc(Cn3nc(-c4nc(-c5ccc(OC(C)(F)F)cc5)no4)nc3C)ccn2)CC1.CCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4ccc(C(=O)N5CCN(C)CC5)cc4)n3)n2)cc1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cc[nH+]c(N2CCS(=O)(=O)CC2)c1.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)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(N(C)C)c1.O=C([O-])C(F)(F)F.

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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate?

The InChIKey is RAPCYBDYVAFSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O2.C26H25F2N7O2.C25H26F2N8O3.C25H27N7O2.C24H27F2N7O2.C24H24F2N6O3.C24H24F2N6O2.C23H23F2N7O4S.C21H21F2N7O2.C21H20F2N6O2.C2HF3O2/c1-18-30-24(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;1-17-30-24(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;1-16-29-23(24-30-22(32-38-24)19-4-6-20(7-5-19)37-25(3,26)27)31-35(16)15-18-8-9-28-21(14-18)34-12-10-33(11-13-34)17(2)36;1-17-4-8-20(9-5-17)22-27-24(34-29-22)23-26-18(2)32(28-23)16-19-6-10-21(11-7-19)25(33)31-14-12-30(3)13-15-31;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;1-16-27-22(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;1-15-27-21(22-28-20(30-36-22)17-3-5-18(6-4-17)35-23(2,24)25)29-32(15)14-16-7-8-26-19(13-16)31-9-11-37(33,34)12-10-31;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;3-2(4,5)1(6)7/h7-12,16H,3-6,13-15,17H2,1-2H3;3-9,14,18H,10-13,16H2,1-2H3;4-9,14H,10-13,15H2,1-3H3;4-11H,12-16H2,1-3H3;7-12,14H,5-6,13,15H2,1-4H3;3-9,14H,10-13,15H2,1-2H3;5-11,14H,3-4,12-13,15H2,1-2H3;3-8,13H,9-12,14H2,1-2H3;5-11H,12H2,1-4H3;5-11H,4,12H2,1-3H3;(H,6,7).

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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate?

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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate has a molecular weight of 4943.10 g/mol, XLogP of 39.46, 74 rotatable bonds, 0 hydrogen bond donors, and 91 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-[(3-pyrrolidin-1-ylphenyl)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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyridin-1-ium-2-yl]-1,4-thiazinane 1,1-dioxide;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;1-[4-[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]piperazin-1-yl]ethanone;[4-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetate is sourced from PubChem (CID 158226799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).