3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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

C193H203F14N53O17 — CID 159324466

About 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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 159324466) has the molecular formula C193H203F14N53O17 and a molecular weight of 3803.07 g/mol. Its IUPAC name is 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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 Name: 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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: 159324466
• Molecular Formula: C193H203F14N53O17
• Molecular Weight: 3803.07 g/mol
• Exact Mass: 3800.64
• IUPAC Name: 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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
• SMILES: COCCCCc1cccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)c1.Cc1ccc(-c2nc(-c3nc(C)n(Cc4cccc(N5CCN(C)CC5)c4)n3)no2)cc1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(N(C)C)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)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(N2CCOCC2)n1
• InChI: InChI=1S/C26H29F2N7O2.C26H25F2N7O2.C25H27F2N5O3.C24H27F2N7O2.C24H24F2N6O2.C24H27N7O.C22H22F2N8O3.C22H22F2N6O2/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;1-17-28-23(30-32(17)16-19-9-6-8-18(15-19)7-4-5-14-33-3)24-29-22(31-35-24)20-10-12-21(13-11-20)34-25(2,26)27;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(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;1-14-26-19(20-28-18(30-35-20)15-3-5-17(6-4-15)34-22(2,23)24)29-32(14)13-16-7-8-25-21(27-16)31-9-11-33-12-10-31;1-14-25-20(27-30(14)13-15-6-5-7-17(12-15)29(3)4)21-26-19(28-32-21)16-8-10-18(11-9-16)31-22(2,23)24/h7-12,16H,3-6,13-15,17H2,1-2H3;3-9,14,18H,10-13,16H2,1-2H3;6,8-13,15H,4-5,7,14,16H2,1-3H3;7-12,14H,5-6,13,15H2,1-4H3;5-11,14H,3-4,12-13,15H2,1-2H3;4-10,15H,11-14,16H2,1-3H3;3-8H,9-13H2,1-2H3;5-12H,13H2,1-4H3
• InChIKey: LEEJZNZSOAYTKQ-UHFFFAOYSA-N
• XLogP: 35.13
• TPSA: 741.38 Ų
• H-Bond Acceptors: 70
• Rotatable Bonds: 64
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3803.07
LogP ≤ 5	35.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	70

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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 159324466) is 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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 COCCCCc1cccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)c1.Cc1ccc(-c2nc(-c3nc(C)n(Cc4cccc(N5CCN(C)CC5)c4)n3)no2)cc1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1cccc(N(C)C)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)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(N2CCOCC2)n1.

What is the InChIKey of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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 LEEJZNZSOAYTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O2.C26H25F2N7O2.C25H27F2N5O3.C24H27F2N7O2.C24H24F2N6O2.C24H27N7O.C22H22F2N8O3.C22H22F2N6O2/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;1-17-28-23(30-32(17)16-19-9-6-8-18(15-19)7-4-5-14-33-3)24-29-22(31-35-24)20-10-12-21(13-11-20)34-25(2,26)27;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(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;1-14-26-19(20-28-18(30-35-20)15-3-5-17(6-4-15)34-22(2,23)24)29-32(14)13-16-7-8-25-21(27-16)31-9-11-33-12-10-31;1-14-25-20(27-30(14)13-15-6-5-7-17(12-15)29(3)4)21-26-19(28-32-21)16-8-10-18(11-9-16)31-22(2,23)24/h7-12,16H,3-6,13-15,17H2,1-2H3;3-9,14,18H,10-13,16H2,1-2H3;6,8-13,15H,4-5,7,14,16H2,1-3H3;7-12,14H,5-6,13,15H2,1-4H3;5-11,14H,3-4,12-13,15H2,1-2H3;4-10,15H,11-14,16H2,1-3H3;3-8H,9-13H2,1-2H3;5-12H,13H2,1-4H3.

What are the key properties of 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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 3803.07 g/mol, XLogP of 35.13, 64 rotatable bonds, 0 hydrogen bond donors, and 70 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[3-(4-methoxybutyl)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-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;3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylaniline;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;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-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]pyrimidin-2-yl]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 159324466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).