2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

C99H89ClN36O7 — CID 158787588

About 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 158787588) has the molecular formula C99H89ClN36O7 and a molecular weight of 1930.50 g/mol. Its IUPAC name is 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
• PubChem CID: 158787588
• Molecular Formula: C99H89ClN36O7
• Molecular Weight: 1930.50 g/mol
• Exact Mass: 1928.74
• IUPAC Name: 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
• SMILES: Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C)n1.Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(Cl)n1.Cc1cc(C)cc(-c2ncn(/C=C\c3ccon3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3cocn3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3ncno3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nnc(C)o3)n2)c1.[C-]#[N+]c1nnc(/C=C\n2cnc(-c3cc(C)cc(C)c3)n2)o1
• InChI: InChI=1S/C15H12N6O.C15H15N5O.2C15H14N4O.C14H13N5O.C13H12N6O.C12H9ClN6O/c1-10-6-11(2)8-12(7-10)14-17-9-21(20-14)5-4-13-18-19-15(16-3)22-13;1-10-6-11(2)8-13(7-10)15-16-9-20(19-15)5-4-14-18-17-12(3)21-14;1-11-7-12(2)9-13(8-11)15-16-10-19(17-15)5-3-14-4-6-20-18-14;1-11-5-12(2)7-13(6-11)15-16-9-19(18-15)4-3-14-8-20-10-17-14;1-10-5-11(2)7-12(6-10)14-16-9-19(18-14)4-3-13-15-8-17-20-13;1-9-5-11(6-10(2)16-9)13-14-7-19(18-13)4-3-12-17-15-8-20-12;1-8-4-9(5-10(13)16-8)12-14-6-19(18-12)3-2-11-17-15-7-20-11/h4-9H,1-2H3;4-9H,1-3H3;2*3-10H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;2-7H,1H3/b2*5-4-;5-3-;3*4-3-;3-2-
• InChIKey: IRWLQPTVUYSUGK-BKILDHEXSA-N
• XLogP: 19.21
• TPSA: 491.77 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.50
LogP ≤ 5	19.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 158787588) is 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C)n1.Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(Cl)n1.Cc1cc(C)cc(-c2ncn(/C=C\c3ccon3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3cocn3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3ncno3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nnc(C)o3)n2)c1.[C-]#[N+]c1nnc(/C=C\n2cnc(-c3cc(C)cc(C)c3)n2)o1.

What is the InChIKey of 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?

The InChIKey is IRWLQPTVUYSUGK-BKILDHEXSA-N. The full InChI is InChI=1S/C15H12N6O.C15H15N5O.2C15H14N4O.C14H13N5O.C13H12N6O.C12H9ClN6O/c1-10-6-11(2)8-12(7-10)14-17-9-21(20-14)5-4-13-18-19-15(16-3)22-13;1-10-6-11(2)8-13(7-10)15-16-9-20(19-15)5-4-14-18-17-12(3)21-14;1-11-7-12(2)9-13(8-11)15-16-10-19(17-15)5-3-14-4-6-20-18-14;1-11-5-12(2)7-13(6-11)15-16-9-19(18-15)4-3-14-8-20-10-17-14;1-10-5-11(2)7-12(6-10)14-16-9-19(18-14)4-3-13-15-8-17-20-13;1-9-5-11(6-10(2)16-9)13-14-7-19(18-13)4-3-12-17-15-8-20-12;1-8-4-9(5-10(13)16-8)12-14-6-19(18-12)3-2-11-17-15-7-20-11/h4-9H,1-2H3;4-9H,1-3H3;2*3-10H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;2-7H,1H3/b2*5-4-;5-3-;3*4-3-;3-2-.

What are the key properties of 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?

2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 1930.50 g/mol, XLogP of 19.21, 21 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-2-[3-(2-chloro-6-methyl-4-pyridinyl)-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]-5-isocyano-1,3,4-oxadiazole;2-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,2-oxazole;4-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3-oxazole;2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 158787588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).