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-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

C39H31Cl2F3N18O7S — CID 160594112

About 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-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-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-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 160594112) has the molecular formula C39H31Cl2F3N18O7S and a molecular weight of 1023.76 g/mol. Its IUPAC name is 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-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 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-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
• PubChem CID: 160594112
• Molecular Formula: C39H31Cl2F3N18O7S
• Molecular Weight: 1023.76 g/mol
• Exact Mass: 1022.17
• IUPAC Name: 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-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-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.Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(S(C)(=O)=O)n1.FC(F)(F)Oc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(Cl)n1
• InChI: InChI=1S/C14H13ClN6O2.C13H12N6O3S.C12H6ClF3N6O2/c1-9(2)23-13-6-10(5-11(15)18-13)14-16-7-21(20-14)4-3-12-19-17-8-22-12;1-9-5-10(6-12(16-9)23(2,20)21)13-14-7-19(18-13)4-3-11-17-15-8-22-11;13-8-3-7(4-10(19-8)24-12(14,15)16)11-17-5-22(21-11)2-1-9-20-18-6-23-9/h3-9H,1-2H3;3-8H,1-2H3;1-6H/b2*4-3-;2-1-
• InChIKey: RDKDGNLNKFOBBW-KSKFAESRSA-N
• XLogP: 6.76
• TPSA: 300.16 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1023.76
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?

The IUPAC name of 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-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 160594112) is 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-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-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-propan-2-yloxy-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?

The canonical SMILES for 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-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-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.Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(S(C)(=O)=O)n1.FC(F)(F)Oc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(Cl)n1.

What is the InChIKey of 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-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?

The InChIKey is RDKDGNLNKFOBBW-KSKFAESRSA-N. The full InChI is InChI=1S/C14H13ClN6O2.C13H12N6O3S.C12H6ClF3N6O2/c1-9(2)23-13-6-10(5-11(15)18-13)14-16-7-21(20-14)4-3-12-19-17-8-22-12;1-9-5-10(6-12(16-9)23(2,20)21)13-14-7-19(18-13)4-3-11-17-15-8-22-11;13-8-3-7(4-10(19-8)24-12(14,15)16)11-17-5-22(21-11)2-1-9-20-18-6-23-9/h3-9H,1-2H3;3-8H,1-2H3;1-6H/b2*4-3-;2-1-.

What are the key properties of 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-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-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-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 1023.76 g/mol, XLogP of 6.76, 13 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[2-chloro-6-(trifluoromethoxy)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 160594112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).