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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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

C189H196F13N53O19S — CID 160597285

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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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

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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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 (PubChem CID 160597285) has the molecular formula C189H196F13N53O19S and a molecular weight of 3793.04 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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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.

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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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
• PubChem CID: 160597285
• Molecular Formula: C189H196F13N53O19S
• Molecular Weight: 3793.04 g/mol
• Exact Mass: 3790.55
• 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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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
• SMILES: COCCCCc1nccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)n1.Cc1cccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)n1.Cc1nc(-c2cc(-c3ccc(OC(C)(F)F)cc3)on2)nn1Cc1ccnc(N2CCC(S(C)(=O)=O)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccc2ccccc2n1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N2CCCC2)n1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(=O)n(CCN(C)C)c1.Cc1nc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)nn1Cc1cccc(N2CCOCC2)c1.Cc1nc(-c2noc(-c3ccc(C(C)(C)C)cc3)n2)nn1Cc1cccc(N2CCN(C)CC2)c1
• InChI: InChI=1S/C27H33N7O.C26H28F2N6O4S.C26H30N6O2.C23H25F2N7O3.C23H18F2N6O2.C22H22F3N7O3.C22H22F2N8O2.C20H18F2N6O2/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;1-17-30-25(22-15-23(38-32-22)19-4-6-20(7-5-19)37-26(2,27)28)31-34(17)16-18-8-11-29-24(14-18)33-12-9-21(10-13-33)39(3,35)36;1-18-27-23(25-29-28-24(34-25)20-8-10-21(11-9-20)26(2,3)4)30-32(18)17-19-6-5-7-22(16-19)31-12-14-33-15-13-31;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;1-14-26-21(29-31(14)13-17-10-7-15-5-3-4-6-19(15)27-17)22-28-20(30-33-22)16-8-11-18(12-9-16)32-23(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;1-14-26-19(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;1-12-5-4-6-15(23-12)11-28-13(2)24-18(26-28)19-25-17(27-30-19)14-7-9-16(10-8-14)29-20(3,21)22/h6-12,17H,13-16,18H2,1-5H3;4-8,11,14-15,21H,9-10,12-13,16H2,1-3H3;5-11,16H,12-15,17H2,1-4H3;7-12H,4-6,13-14H2,1-3H3;3-12H,13H2,1-2H3;4-9,12H,10-11,13H2,1-3H3;5-10H,3-4,11-13H2,1-2H3;4-10H,11H2,1-3H3
• InChIKey: RDUKJYORDBNRFV-UHFFFAOYSA-N
• XLogP: 32.99
• TPSA: 783.80 Ų
• H-Bond Acceptors: 72
• Rotatable Bonds: 56
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3793.04
LogP ≤ 5	32.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	72

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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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?

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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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 (CID 160597285) 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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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.

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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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?

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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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 is COCCCCc1nccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)n1.Cc1cccc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)n1.Cc1nc(-c2cc(-c3ccc(OC(C)(F)F)cc3)on2)nn1Cc1ccnc(N2CCC(S(C)(=O)=O)CC2)c1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccc2ccccc2n1.Cc1nc(-c2nc(-c3ccc(OC(C)(F)F)cc3)no2)nn1Cc1ccnc(N2CCCC2)n1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(=O)n(CCN(C)C)c1.Cc1nc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)nn1Cc1cccc(N2CCOCC2)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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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?

The InChIKey is RDUKJYORDBNRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O.C26H28F2N6O4S.C26H30N6O2.C23H25F2N7O3.C23H18F2N6O2.C22H22F3N7O3.C22H22F2N8O2.C20H18F2N6O2/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;1-17-30-25(22-15-23(38-32-22)19-4-6-20(7-5-19)37-26(2,27)28)31-34(17)16-18-8-11-29-24(14-18)33-12-9-21(10-13-33)39(3,35)36;1-18-27-23(25-29-28-24(34-25)20-8-10-21(11-9-20)26(2,3)4)30-32(18)17-19-6-5-7-22(16-19)31-12-14-33-15-13-31;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;1-14-26-21(29-31(14)13-17-10-7-15-5-3-4-6-19(15)27-17)22-28-20(30-33-22)16-8-11-18(12-9-16)32-23(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;1-14-26-19(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;1-12-5-4-6-15(23-12)11-28-13(2)24-18(26-28)19-25-17(27-30-19)14-7-9-16(10-8-14)29-20(3,21)22/h6-12,17H,13-16,18H2,1-5H3;4-8,11,14-15,21H,9-10,12-13,16H2,1-3H3;5-11,16H,12-15,17H2,1-4H3;7-12H,4-6,13-14H2,1-3H3;3-12H,13H2,1-2H3;4-9,12H,10-11,13H2,1-3H3;5-10H,3-4,11-13H2,1-2H3;4-10H,11H2,1-3H3.

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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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?

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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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 has a molecular weight of 3793.04 g/mol, XLogP of 32.99, 56 rotatable bonds, 0 hydrogen bond donors, and 72 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;4-[3-[[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]phenyl]morpholine;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-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole;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-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-(quinolin-2-ylmethyl)-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;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 is sourced from PubChem (CID 160597285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).