5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate)

C208H198F23N50O27S-3 — CID 158385196

About 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate)

5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate) (PubChem CID 158385196) has the molecular formula C208H198F23N50O27S-3 and a molecular weight of 4299.22 g/mol. Its IUPAC name is 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate).

Molecular Properties

• Compound Name: 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate)
• PubChem CID: 158385196
• Molecular Formula: C208H198F23N50O27S-3
• Molecular Weight: 4299.22 g/mol
• Exact Mass: 4296.50
• IUPAC Name: 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate)
• SMILES: CCc1nc(-c2nc(-c3ccc(C)cc3)no2)nn1Cc1ccccc1.COCCCCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cc[nH+]c(N5CCC(C)CC5)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(CCCC(C)C)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C4CC4)n(Cc4ccccc4)n3)n2)cc1.Cc1ccc(Cn2nc(-c3nc(-c4ccc(C)cc4)no3)nc2C)cc1.Cc1cccc(Cn2nc(-c3nc(-c4ccc(OC(F)(F)F)cc4)no3)nc2C)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccccc1.Cc1nc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)nn1Cc1cc[nH+]c(N2CCC(C)CC2)c1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C=O
• InChI: InChI=1S/C25H29N5O.C24H26F2N6O3.C24H27N7O3S.C24H27N7O.C21H19N5O.C20H16F3N5O2.2C20H19N5O.C19H14F3N5O2.5C2HF3O2.CO2/c1-17(2)7-5-8-20-9-6-10-21(15-20)16-30-19(4)26-24(28-30)25-27-23(29-31-25)22-13-11-18(3)12-14-22;1-16-28-22(30-32(16)15-17-11-12-27-19(14-17)6-4-5-13-33-3)23-29-21(31-35-23)18-7-9-20(10-8-18)34-24(2,25)26;1-16-9-12-30(13-10-16)21-14-18(8-11-25-21)15-31-17(2)26-23(28-31)24-27-22(29-34-24)19-4-6-20(7-5-19)35(3,32)33;1-16-4-6-20(7-5-16)22-27-24(32-29-22)23-26-18(3)31(28-23)15-19-8-11-25-21(14-19)30-12-9-17(2)10-13-30;1-14-7-9-16(10-8-14)18-23-21(27-25-18)19-22-20(17-11-12-17)26(24-19)13-15-5-3-2-4-6-15;1-12-4-3-5-14(10-12)11-28-13(2)24-18(26-28)19-25-17(27-30-19)15-6-8-16(9-7-15)29-20(21,22)23;1-13-4-8-16(9-5-13)12-25-15(3)21-19(23-25)20-22-18(24-26-20)17-10-6-14(2)7-11-17;1-3-17-21-19(23-25(17)13-15-7-5-4-6-8-15)20-22-18(24-26-20)16-11-9-14(2)10-12-16;1-12-23-17(25-27(12)11-13-5-3-2-4-6-13)18-24-16(26-29-18)14-7-9-15(10-8-14)28-19(20,21)22;5*3-2(4,5)1(6)7;2-1-3/h6,9-15,17H,5,7-8,16H2,1-4H3;7-12,14H,4-6,13,15H2,1-3H3;4-8,11,14,16H,9-10,12-13,15H2,1-3H3;4-8,11,14,17H,9-10,12-13,15H2,1-3H3;2-10,17H,11-13H2,1H3;3-10H,11H2,1-2H3;4-11H,12H2,1-3H3;4-12H,3,13H2,1-2H3;2-10H,11H2,1H3;5*(H,6,7);/p-3
• InChIKey: IHBFDDLMPXYETO-UHFFFAOYSA-K
• XLogP: 33.69
• TPSA: 980.17 Ų
• H-Bond Acceptors: 75
• Rotatable Bonds: 54
• Heavy Atoms: 309
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4299.22
LogP ≤ 5	33.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	75

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate)?

The IUPAC name of 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate) (CID 158385196) is 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate).

What is the SMILES notation for 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate)?

The canonical SMILES for 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate) is CCc1nc(-c2nc(-c3ccc(C)cc3)no2)nn1Cc1ccccc1.COCCCCc1cc(Cn2nc(-c3nc(-c4ccc(OC(C)(F)F)cc4)no3)nc2C)ccn1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cc[nH+]c(N5CCC(C)CC5)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C)n(Cc4cccc(CCCC(C)C)c4)n3)n2)cc1.Cc1ccc(-c2noc(-c3nc(C4CC4)n(Cc4ccccc4)n3)n2)cc1.Cc1ccc(Cn2nc(-c3nc(-c4ccc(C)cc4)no3)nc2C)cc1.Cc1cccc(Cn2nc(-c3nc(-c4ccc(OC(F)(F)F)cc4)no3)nc2C)c1.Cc1nc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccccc1.Cc1nc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)nn1Cc1cc[nH+]c(N2CCC(C)CC2)c1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C=O.

What is the InChIKey of 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate)?

The InChIKey is IHBFDDLMPXYETO-UHFFFAOYSA-K. The full InChI is InChI=1S/C25H29N5O.C24H26F2N6O3.C24H27N7O3S.C24H27N7O.C21H19N5O.C20H16F3N5O2.2C20H19N5O.C19H14F3N5O2.5C2HF3O2.CO2/c1-17(2)7-5-8-20-9-6-10-21(15-20)16-30-19(4)26-24(28-30)25-27-23(29-31-25)22-13-11-18(3)12-14-22;1-16-28-22(30-32(16)15-17-11-12-27-19(14-17)6-4-5-13-33-3)23-29-21(31-35-23)18-7-9-20(10-8-18)34-24(2,25)26;1-16-9-12-30(13-10-16)21-14-18(8-11-25-21)15-31-17(2)26-23(28-31)24-27-22(29-34-24)19-4-6-20(7-5-19)35(3,32)33;1-16-4-6-20(7-5-16)22-27-24(32-29-22)23-26-18(3)31(28-23)15-19-8-11-25-21(14-19)30-12-9-17(2)10-13-30;1-14-7-9-16(10-8-14)18-23-21(27-25-18)19-22-20(17-11-12-17)26(24-19)13-15-5-3-2-4-6-15;1-12-4-3-5-14(10-12)11-28-13(2)24-18(26-28)19-25-17(27-30-19)15-6-8-16(9-7-15)29-20(21,22)23;1-13-4-8-16(9-5-13)12-25-15(3)21-19(23-25)20-22-18(24-26-20)17-10-6-14(2)7-11-17;1-3-17-21-19(23-25(17)13-15-7-5-4-6-8-15)20-22-18(24-26-20)16-11-9-14(2)10-12-16;1-12-23-17(25-27(12)11-13-5-3-2-4-6-13)18-24-16(26-29-18)14-7-9-15(10-8-14)28-19(20,21)22;5*3-2(4,5)1(6)7;2-1-3/h6,9-15,17H,5,7-8,16H2,1-4H3;7-12,14H,4-6,13,15H2,1-3H3;4-8,11,14,16H,9-10,12-13,15H2,1-3H3;4-8,11,14,17H,9-10,12-13,15H2,1-3H3;2-10,17H,11-13H2,1H3;3-10H,11H2,1-2H3;4-11H,12H2,1-3H3;4-12H,3,13H2,1-2H3;2-10H,11H2,1H3;5*(H,6,7);/p-3.

What are the key properties of 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate)?

5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate) has a molecular weight of 4299.22 g/mol, XLogP of 33.69, 54 rotatable bonds, 0 hydrogen bond donors, and 75 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-methyl-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;carbon dioxide;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;5-[5-methyl-1-[[3-(4-methylpentyl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole;pentakis(2,2,2-trifluoroacetate) is sourced from PubChem (CID 158385196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).