2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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

C106H94Cl2N33O7P — CID 158873777

About 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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

2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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 (PubChem CID 158873777) has the molecular formula C106H94Cl2N33O7P and a molecular weight of 2044.02 g/mol. Its IUPAC name is 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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.

Molecular Properties

• Compound Name: 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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
• PubChem CID: 158873777
• Molecular Formula: C106H94Cl2N33O7P
• Molecular Weight: 2044.02 g/mol
• Exact Mass: 2041.71
• IUPAC Name: 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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
• 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\c3poc(=O)n3C)n2)c1.Clc1cccc(-c2ncn(/C=C/c3nnco3)n2)c1.Clc1cccc(-c2ncn(/C=C\c3nnco3)n2)c1
• InChI: InChI=1S/C19H16N4O.C17H16N4.C16H16N6.C15H15N5O2.C15H15N4O2P.2C12H8ClN5O/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;1-13-9-14(2)11-15(10-13)17-19-12-21(20-17)8-6-16-5-3-4-7-18-16;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;1-10-6-11(2)8-12(7-10)14-16-9-19(17-14)5-4-13-18(3)15(20)21-22-13;2*13-10-3-1-2-9(6-10)12-14-7-18(17-12)5-4-11-16-15-8-19-11/h3-12H,1-2H3;3-12H,1-2H3;4-10H,1-3H3;2*4-9H,1-3H3;2*1-8H/b8-7-;8-6-;3*5-4-;5-4+;5-4-
• InChIKey: JCEFECOUQYQGNN-TZTYIJBQSA-N
• XLogP: 20.76
• TPSA: 453.57 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 21
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2044.02
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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?

The IUPAC name of 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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 (CID 158873777) is 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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.

What is the SMILES notation for 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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?

The canonical SMILES for 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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 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\c3poc(=O)n3C)n2)c1.Clc1cccc(-c2ncn(/C=C/c3nnco3)n2)c1.Clc1cccc(-c2ncn(/C=C\c3nnco3)n2)c1.

What is the InChIKey of 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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?

The InChIKey is JCEFECOUQYQGNN-TZTYIJBQSA-N. The full InChI is InChI=1S/C19H16N4O.C17H16N4.C16H16N6.C15H15N5O2.C15H15N4O2P.2C12H8ClN5O/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;1-13-9-14(2)11-15(10-13)17-19-12-21(20-17)8-6-16-5-3-4-7-18-16;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;1-10-6-11(2)8-12(7-10)14-16-9-19(17-14)5-4-13-18(3)15(20)21-22-13;2*13-10-3-1-2-9(6-10)12-14-7-18(17-12)5-4-11-16-15-8-19-11/h3-12H,1-2H3;3-12H,1-2H3;4-10H,1-3H3;2*4-9H,1-3H3;2*1-8H/b8-7-;8-6-;3*5-4-;5-4+;5-4-.

What are the key properties of 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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?

2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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 has a molecular weight of 2044.02 g/mol, XLogP of 20.76, 21 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;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;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,4,2-oxazaphosphol-5-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 is sourced from PubChem (CID 158873777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).