2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

C72H68Cl3N27O9 — CID 158814169

About 2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-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-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 158814169) has the molecular formula C72H68Cl3N27O9 and a molecular weight of 1561.87 g/mol. Its IUPAC name is 2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
• PubChem CID: 158814169
• Molecular Formula: C72H68Cl3N27O9
• Molecular Weight: 1561.87 g/mol
• Exact Mass: 1559.48
• IUPAC Name: 2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
• SMILES: CC(C)Oc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(Cl)n1.CC(C)Oc1cc(Cl)cc(-c2ncn(/C=C\c3nnco3)n2)c1.Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(OC(C)C)n1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3nnco3)n2)c1.Clc1cccc(-c2ncn(/C=C/c3nnco3)n2)c1
• InChI: InChI=1S/C16H17N5O2.C15H14ClN5O2.C15H16N6O2.C14H13ClN6O2.C12H8ClN5O/c1-11(2)23-14-7-12(3)6-13(8-14)16-17-9-21(20-16)5-4-15-19-18-10-22-15;1-10(2)23-13-6-11(5-12(16)7-13)15-17-8-21(20-15)4-3-14-19-18-9-22-14;1-10(2)23-14-7-12(6-11(3)18-14)15-16-8-21(20-15)5-4-13-19-17-9-22-13;1-9(2)23-13-6-10(5-11(15)18-13)14-16-7-21(20-14)4-3-12-19-17-8-22-12;13-10-3-1-2-9(6-10)12-14-7-18(17-12)5-4-11-16-15-8-19-11/h4-11H,1-3H3;3-10H,1-2H3;4-10H,1-3H3;3-9H,1-2H3;1-8H/b5-4-;4-3-;5-4-;4-3-;5-4+
• InChIKey: IVBFBTMKEKJBCC-DAXONNPESA-N
• XLogP: 14.30
• TPSA: 410.85 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1561.87
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 158814169) is 2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is CC(C)Oc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(Cl)n1.CC(C)Oc1cc(Cl)cc(-c2ncn(/C=C\c3nnco3)n2)c1.Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(OC(C)C)n1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3nnco3)n2)c1.Clc1cccc(-c2ncn(/C=C/c3nnco3)n2)c1.

What is the InChIKey of 2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?

The InChIKey is IVBFBTMKEKJBCC-DAXONNPESA-N. The full InChI is InChI=1S/C16H17N5O2.C15H14ClN5O2.C15H16N6O2.C14H13ClN6O2.C12H8ClN5O/c1-11(2)23-14-7-12(3)6-13(8-14)16-17-9-21(20-16)5-4-15-19-18-10-22-15;1-10(2)23-13-6-11(5-12(16)7-13)15-17-8-21(20-15)4-3-14-19-18-9-22-14;1-10(2)23-14-7-12(6-11(3)18-14)15-16-8-21(20-15)5-4-13-19-17-9-22-13;1-9(2)23-13-6-10(5-11(15)18-13)14-16-7-21(20-14)4-3-12-19-17-8-22-12;13-10-3-1-2-9(6-10)12-14-7-18(17-12)5-4-11-16-15-8-19-11/h4-11H,1-3H3;3-10H,1-2H3;4-10H,1-3H3;3-9H,1-2H3;1-8H/b5-4-;4-3-;5-4-;4-3-;5-4+.

What are the key properties of 2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-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-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 1561.87 g/mol, XLogP of 14.30, 23 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-chloro-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 158814169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).