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

C107H87BrClF12N21O7 — CID 157261554

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

5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(4-octylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 157261554) has the molecular formula C107H87BrClF12N21O7 and a molecular weight of 2122.35 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(4-octylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(4-octylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 157261554
• Molecular Formula: C107H87BrClF12N21O7
• Molecular Weight: 2122.35 g/mol
• Exact Mass: 2119.58
• IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(4-octylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CCCCCCCCc1ccc(-c2nc(-c3ccncc3)no2)cc1.Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1cncc(-c2noc(-c3ccc(C)c(C)c3)n2)c1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1Cl.FC(F)(F)c1cc(Br)cc(-c2nc(-c3ccncc3)no2)c1.c1cc(-c2noc(C3CCCC3)n2)ccn1
• InChI: InChI=1S/C21H25N3O.C16H15N3O.C15H7F6N3O.C15H13N3O.C14H7BrF3N3O.C14H7ClF3N3O.C12H13N3O/c1-2-3-4-5-6-7-8-17-9-11-19(12-10-17)21-23-20(24-25-21)18-13-15-22-16-14-18;1-10-6-14(9-17-8-10)15-18-16(20-19-15)13-5-4-11(2)12(3)7-13;16-14(17,18)10-5-9(6-11(7-10)15(19,20)21)13-23-12(24-25-13)8-1-3-22-4-2-8;1-10-5-6-12(8-11(10)2)15-17-14(18-19-15)13-4-3-7-16-9-13;15-11-6-9(5-10(7-11)14(16,17)18)13-20-12(21-22-13)8-1-3-19-4-2-8;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;1-2-4-10(3-1)12-14-11(15-16-12)9-5-7-13-8-6-9/h9-16H,2-8H2,1H3;4-9H,1-3H3;1-7H;3-9H,1-2H3;2*1-7H;5-8,10H,1-4H2
• InChIKey: AXNHWVRYLVGHLQ-UHFFFAOYSA-N
• XLogP: 29.52
• TPSA: 362.67 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2122.35
LogP ≤ 5	29.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(4-octylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 157261554) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(4-octylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

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

The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(4-octylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is CCCCCCCCc1ccc(-c2nc(-c3ccncc3)no2)cc1.Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C.Cc1cncc(-c2noc(-c3ccc(C)c(C)c3)n2)c1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1Cl.FC(F)(F)c1cc(Br)cc(-c2nc(-c3ccncc3)no2)c1.c1cc(-c2noc(C3CCCC3)n2)ccn1.

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

The InChIKey is AXNHWVRYLVGHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.C16H15N3O.C15H7F6N3O.C15H13N3O.C14H7BrF3N3O.C14H7ClF3N3O.C12H13N3O/c1-2-3-4-5-6-7-8-17-9-11-19(12-10-17)21-23-20(24-25-21)18-13-15-22-16-14-18;1-10-6-14(9-17-8-10)15-18-16(20-19-15)13-5-4-11(2)12(3)7-13;16-14(17,18)10-5-9(6-11(7-10)15(19,20)21)13-23-12(24-25-13)8-1-3-22-4-2-8;1-10-5-6-12(8-11(10)2)15-17-14(18-19-15)13-4-3-7-16-9-13;15-11-6-9(5-10(7-11)14(16,17)18)13-20-12(21-22-13)8-1-3-19-4-2-8;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;1-2-4-10(3-1)12-14-11(15-16-12)9-5-7-13-8-6-9/h9-16H,2-8H2,1H3;4-9H,1-3H3;1-7H;3-9H,1-2H3;2*1-7H;5-8,10H,1-4H2.

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

5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(4-octylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 2122.35 g/mol, XLogP of 29.52, 21 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclopentyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-(4-octylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 157261554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).