5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole

C₁₄₃H₁₃₁ClF₃N₂₉O₉ — CID 158675785

About 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole

5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 158675785) has the molecular formula C₁₄₃H₁₃₁ClF₃N₂₉O₉ and a molecular weight of 2492.26 g/mol. Its IUPAC name is 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
• PubChem CID: 158675785
• Molecular Formula: C₁₄₃H₁₃₁ClF₃N₂₉O₉
• Molecular Weight: 2492.26 g/mol
• Exact Mass: 2490.03
• IUPAC Name: 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
• SMILES: CCCCCCCCc1ccc(-c2nc(-c3cccnc3)no2)cc1.Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C.Cc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1cncc(-c2noc(-c3ccc(C)c(C)c3)n2)c1.Cc1cncc(-c2noc(-c3ccc(C)c(C)c3)n2)c1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1Cl
• InChI: InChI=1S/C21H25N3O.3C16H15N3O.2C15H14N4O.2C15H13N3O.C14H7ClF3N3O/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)21-23-20(24-25-21)19-10-8-15-22-16-19;2*1-10-6-14(9-17-8-10)15-18-16(20-19-15)13-5-4-11(2)12(3)7-13;1-10-4-5-13(8-11(10)2)16-18-15(19-20-16)14-6-7-17-9-12(14)3;2*1-9-3-4-12(7-10(9)2)15-18-14(19-20-15)11-5-6-17-13(16)8-11;2*1-10-5-6-12(8-11(10)2)15-17-14(18-19-15)13-4-3-7-16-9-13;15-11-2-1-9(7-10(11)14(16,17)18)13-20-12(21-22-13)8-3-5-19-6-4-8/h8,10-16H,2-7,9H2,1H3;3*4-9H,1-3H3;2*3-8H,1-2H3,(H2,16,17);2*3-9H,1-2H3;1-7H
• InChIKey: IEMQZUSGFNUCDA-UHFFFAOYSA-N
• XLogP: 34.17
• TPSA: 518.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2492.26
LogP ≤ 5	34.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?

The IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 158675785) is 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is CCCCCCCCc1ccc(-c2nc(-c3cccnc3)no2)cc1.Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C.Cc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1cncc(-c2noc(-c3ccc(C)c(C)c3)n2)c1.Cc1cncc(-c2noc(-c3ccc(C)c(C)c3)n2)c1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1Cl.

What is the InChIKey of 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?

The InChIKey is IEMQZUSGFNUCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.3C16H15N3O.2C15H14N4O.2C15H13N3O.C14H7ClF3N3O/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)21-23-20(24-25-21)19-10-8-15-22-16-19;2*1-10-6-14(9-17-8-10)15-18-16(20-19-15)13-5-4-11(2)12(3)7-13;1-10-4-5-13(8-11(10)2)16-18-15(19-20-16)14-6-7-17-9-12(14)3;2*1-9-3-4-12(7-10(9)2)15-18-14(19-20-15)11-5-6-17-13(16)8-11;2*1-10-5-6-12(8-11(10)2)15-17-14(18-19-15)13-4-3-7-16-9-13;15-11-2-1-9(7-10(11)14(16,17)18)13-20-12(21-22-13)8-3-5-19-6-4-8/h8,10-16H,2-7,9H2,1H3;3*4-9H,1-3H3;2*3-8H,1-2H3,(H2,16,17);2*3-9H,1-2H3;1-7H.

What are the key properties of 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?

5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 2492.26 g/mol, XLogP of 34.17, 25 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole);bis(4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine);bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole);5-(4-octylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158675785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158675785 — identifiers, structure, computed properties (public domain)

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