2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole

C100H91F9N30O5 — CID 158060928

About 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole

2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole (PubChem CID 158060928) has the molecular formula C100H91F9N30O5 and a molecular weight of 1964.01 g/mol. Its IUPAC name is 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole.

Molecular Properties

• Compound Name: 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole
• PubChem CID: 158060928
• Molecular Formula: C100H91F9N30O5
• Molecular Weight: 1964.01 g/mol
• Exact Mass: 1962.76
• IUPAC Name: 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole
• SMILES: Cc1cc(C)cc(-c2ncn(/C=C\c3ccccn3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3cnnc(C)n3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nc4ccccc4o3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nn(C)c(=O)o3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nn(CC(F)(F)F)nc3OC(F)(F)F)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nonc3CC(F)(F)F)n2)c1
• InChI: InChI=1S/C19H16N4O.C17H14F6N6O.C17H16N4.C16H14F3N5O.C16H16N6.C15H15N5O2/c1-13-9-14(2)11-15(10-13)19-20-12-23(22-19)8-7-18-21-16-5-3-4-6-17(16)24-18;1-10-5-11(2)7-12(6-10)14-24-9-28(26-14)4-3-13-15(30-17(21,22)23)27-29(25-13)8-16(18,19)20;1-13-9-14(2)11-15(10-13)17-19-12-21(20-17)8-6-16-5-3-4-7-18-16;1-10-5-11(2)7-12(6-10)15-20-9-24(21-15)4-3-13-14(23-25-22-13)8-16(17,18)19;1-11-6-12(2)8-14(7-11)16-17-10-22(21-16)5-4-15-9-18-20-13(3)19-15;1-10-6-11(2)8-12(7-10)14-16-9-20(18-14)5-4-13-17-19(3)15(21)22-13/h3-12H,1-2H3;3-7,9H,8H2,1-2H3;3-12H,1-2H3;3-7,9H,8H2,1-2H3;4-10H,1-3H3;4-9H,1-3H3/b8-7-;4-3-;8-6-;4-3-;2*5-4-
• InChIKey: FKQAQZCJWNTXJU-GTWWYRTNSA-N
• XLogP: 20.40
• TPSA: 388.74 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1964.01
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole?

The IUPAC name of 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole (CID 158060928) is 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole.

What is the SMILES notation for 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole?

The canonical SMILES for 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole is Cc1cc(C)cc(-c2ncn(/C=C\c3ccccn3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3cnnc(C)n3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nc4ccccc4o3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nn(C)c(=O)o3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nn(CC(F)(F)F)nc3OC(F)(F)F)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nonc3CC(F)(F)F)n2)c1.

What is the InChIKey of 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole?

The InChIKey is FKQAQZCJWNTXJU-GTWWYRTNSA-N. The full InChI is InChI=1S/C19H16N4O.C17H14F6N6O.C17H16N4.C16H14F3N5O.C16H16N6.C15H15N5O2/c1-13-9-14(2)11-15(10-13)19-20-12-23(22-19)8-7-18-21-16-5-3-4-6-17(16)24-18;1-10-5-11(2)7-12(6-10)14-24-9-28(26-14)4-3-13-15(30-17(21,22)23)27-29(25-13)8-16(18,19)20;1-13-9-14(2)11-15(10-13)17-19-12-21(20-17)8-6-16-5-3-4-7-18-16;1-10-5-11(2)7-12(6-10)15-20-9-24(21-15)4-3-13-14(23-25-22-13)8-16(17,18)19;1-11-6-12(2)8-14(7-11)16-17-10-22(21-16)5-4-15-9-18-20-13(3)19-15;1-10-6-11(2)8-12(7-10)14-16-9-20(18-14)5-4-13-17-19(3)15(21)22-13/h3-12H,1-2H3;3-7,9H,8H2,1-2H3;3-12H,1-2H3;3-7,9H,8H2,1-2H3;4-10H,1-3H3;4-9H,1-3H3/b8-7-;4-3-;8-6-;4-3-;2*5-4-.

What are the key properties of 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole?

2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole has a molecular weight of 1964.01 g/mol, XLogP of 20.40, 21 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-benzoxazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,2,4-triazine;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-2-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)triazole is sourced from PubChem (CID 158060928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).