5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C184H201F17N54O23 — CID 161214542

About 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 161214542) has the molecular formula C184H201F17N54O23 and a molecular weight of 3859.95 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• PubChem CID: 161214542
• Molecular Formula: C184H201F17N54O23
• Molecular Weight: 3859.95 g/mol
• Exact Mass: 3857.59
• IUPAC Name: 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• SMILES: C.C.C.C.COCCCCc1nccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)n1.COCCCOc1ccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)cn1.COc1cc(Cn2nc(-c3nc(-c4ccc(OC(F)(F)F)cc4)no3)nc2C)ccn1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N2CCCC2)n1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(OCCCO)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(=O)n(CCN(C)C)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccnc(OCCN(C)C)c1.Cc1nc(-c2noc(-c3ccc(C(C)(C)C)cc3)n2)nn1Cc1cccc(N2CCN(C)CC2)c1
• InChI: InChI=1S/C27H33N7O.C23H25F2N7O3.C23H24F2N6O4.2C22H22F3N7O3.C22H22F2N8O2.C22H22F2N6O4.C19H15F3N6O3.4CH4/c1-19-28-24(25-29-26(35-31-25)21-9-11-22(12-10-21)27(2,3)4)30-34(19)18-20-7-6-8-23(17-20)33-15-13-32(5)14-16-33;1-15-27-21(30-32(15)14-17-11-12-26-19(28-17)6-4-5-13-33-3)22-29-20(31-35-22)16-7-9-18(10-8-16)34-23(2,24)25;1-15-27-21(29-31(15)14-16-5-10-19(26-13-16)33-12-4-11-32-3)22-28-20(30-35-22)17-6-8-18(9-7-17)34-23(2,24)25;1-14-26-20(28-32(14)13-15-4-9-18(33)31(12-15)11-10-30(2)3)21-27-19(29-35-21)16-5-7-17(8-6-16)34-22(23,24)25;1-14-27-20(29-32(14)13-15-8-9-26-18(12-15)33-11-10-31(2)3)21-28-19(30-35-21)16-4-6-17(7-5-16)34-22(23,24)25;1-14-26-19(29-32(14)13-16-9-10-25-21(27-16)31-11-3-4-12-31)20-28-18(30-34-20)15-5-7-17(8-6-15)33-22(2,23)24;1-14-26-20(28-30(14)13-15-8-9-25-18(12-15)32-11-3-10-31)21-27-19(29-34-21)16-4-6-17(7-5-16)33-22(2,23)24;1-11-24-17(26-28(11)10-12-7-8-23-15(9-12)29-2)18-25-16(27-31-18)13-3-5-14(6-4-13)30-19(20,21)22;;;;/h6-12,17H,13-16,18H2,1-5H3;7-12H,4-6,13-14H2,1-3H3;5-10,13H,4,11-12,14H2,1-3H3;2*4-9,12H,10-11,13H2,1-3H3;5-10H,3-4,11-13H2,1-2H3;4-9,12,31H,3,10-11,13H2,1-2H3;3-9H,10H2,1-2H3;4*1H4
• InChIKey: UWRIESQRZMEQQU-UHFFFAOYSA-N
• XLogP: 32.65
• TPSA: 838.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 77
• Rotatable Bonds: 67
• Heavy Atoms: 278
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3859.95
LogP ≤ 5	32.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	77

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 161214542) is 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is C.C.C.C.COCCCCc1nccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)n1.COCCCOc1ccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)cn1.COc1cc(Cn2nc(-c3nc(-c4ccc(OC(F)(F)F)cc4)no3)nc2C)ccn1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N2CCCC2)n1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(OCCCO)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(=O)n(CCN(C)C)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccnc(OCCN(C)C)c1.Cc1nc(-c2noc(-c3ccc(C(C)(C)C)cc3)n2)nn1Cc1cccc(N2CCN(C)CC2)c1.

What is the InChIKey of 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The InChIKey is UWRIESQRZMEQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O.C23H25F2N7O3.C23H24F2N6O4.2C22H22F3N7O3.C22H22F2N8O2.C22H22F2N6O4.C19H15F3N6O3.4CH4/c1-19-28-24(25-29-26(35-31-25)21-9-11-22(12-10-21)27(2,3)4)30-34(19)18-20-7-6-8-23(17-20)33-15-13-32(5)14-16-33;1-15-27-21(30-32(15)14-17-11-12-26-19(28-17)6-4-5-13-33-3)22-29-20(31-35-22)16-7-9-18(10-8-16)34-23(2,24)25;1-15-27-21(29-31(15)14-16-5-10-19(26-13-16)33-12-4-11-32-3)22-28-20(30-35-22)17-6-8-18(9-7-17)34-23(2,24)25;1-14-26-20(28-32(14)13-15-4-9-18(33)31(12-15)11-10-30(2)3)21-27-19(29-35-21)16-5-7-17(8-6-16)34-22(23,24)25;1-14-27-20(29-32(14)13-15-8-9-26-18(12-15)33-11-10-31(2)3)21-28-19(30-35-21)16-4-6-17(7-5-16)34-22(23,24)25;1-14-26-19(29-32(14)13-16-9-10-25-21(27-16)31-11-3-4-12-31)20-28-18(30-34-20)15-5-7-17(8-6-15)33-22(2,23)24;1-14-26-20(28-30(14)13-15-8-9-25-18(12-15)32-11-3-10-31)21-27-19(29-34-21)16-4-6-17(7-5-16)33-22(2,23)24;1-11-24-17(26-28(11)10-12-7-8-23-15(9-12)29-2)18-25-16(27-31-18)13-3-5-14(6-4-13)30-19(20,21)22;;;;/h6-12,17H,13-16,18H2,1-5H3;7-12H,4-6,13-14H2,1-3H3;5-10,13H,4,11-12,14H2,1-3H3;2*4-9,12H,10-11,13H2,1-3H3;5-10H,3-4,11-13H2,1-2H3;4-9,12,31H,3,10-11,13H2,1-2H3;3-9H,10H2,1-2H3;4*1H4.

What are the key properties of 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 3859.95 g/mol, XLogP of 32.65, 67 rotatable bonds, 1 hydrogen bond donors, and 77 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butylphenyl)-3-[5-methyl-1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)pyrimidin-4-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[6-(3-methoxypropoxy)-3-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-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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]oxy]propan-1-ol;1-[2-(dimethylamino)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]pyridin-2-one;N,N-dimethyl-2-[[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]oxy]ethanamine;methane;5-[1-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 161214542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).