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

C118H80F15N19O7 — CID 161104368

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

5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 161104368) has the molecular formula C118H80F15N19O7 and a molecular weight of 2161.03 g/mol. Its IUPAC name is 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 161104368
• Molecular Formula: C118H80F15N19O7
• Molecular Weight: 2161.03 g/mol
• Exact Mass: 2159.62
• IUPAC Name: 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CCOc1cccc(-c2nc(-c3ccncc3C)no2)c1.Cc1cncc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)c1.Cc1cnccc1-c1noc(-c2ccc(-c3ccccc3)c(C(F)(F)F)c2)n1.FC(F)(F)c1cc(-c2nc(-c3cccnc3)no2)ccc1-c1ccccc1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1-c1ccccc1.Nc1cc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)ccn1
• InChI: InChI=1S/2C21H14F3N3O.C20H13F3N4O.2C20H12F3N3O.C16H15N3O2/c1-13-9-16(12-25-11-13)19-26-20(28-27-19)15-7-8-17(14-5-3-2-4-6-14)18(10-15)21(22,23)24;1-13-12-25-10-9-16(13)19-26-20(28-27-19)15-7-8-17(14-5-3-2-4-6-14)18(11-15)21(22,23)24;21-20(22,23)16-10-14(6-7-15(16)12-4-2-1-3-5-12)19-26-18(27-28-19)13-8-9-25-17(24)11-13;21-20(22,23)17-11-14(8-9-16(17)13-5-2-1-3-6-13)19-25-18(26-27-19)15-7-4-10-24-12-15;21-20(22,23)17-12-15(6-7-16(17)13-4-2-1-3-5-13)19-25-18(26-27-19)14-8-10-24-11-9-14;1-3-20-13-6-4-5-12(9-13)16-18-15(19-21-16)14-7-8-17-10-11(14)2/h2*2-12H,1H3;1-11H,(H2,24,25);2*1-12H;4-10H,3H2,1-2H3
• InChIKey: UIVTXHQNOQVACX-UHFFFAOYSA-N
• XLogP: 31.13
• TPSA: 346.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2161.03
LogP ≤ 5	31.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 161104368) is 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

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

The canonical SMILES for 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is CCOc1cccc(-c2nc(-c3ccncc3C)no2)c1.Cc1cncc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)c1.Cc1cnccc1-c1noc(-c2ccc(-c3ccccc3)c(C(F)(F)F)c2)n1.FC(F)(F)c1cc(-c2nc(-c3cccnc3)no2)ccc1-c1ccccc1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1-c1ccccc1.Nc1cc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)ccn1.

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

The InChIKey is UIVTXHQNOQVACX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H14F3N3O.C20H13F3N4O.2C20H12F3N3O.C16H15N3O2/c1-13-9-16(12-25-11-13)19-26-20(28-27-19)15-7-8-17(14-5-3-2-4-6-14)18(10-15)21(22,23)24;1-13-12-25-10-9-16(13)19-26-20(28-27-19)15-7-8-17(14-5-3-2-4-6-14)18(11-15)21(22,23)24;21-20(22,23)16-10-14(6-7-15(16)12-4-2-1-3-5-12)19-26-18(27-28-19)13-8-9-25-17(24)11-13;21-20(22,23)17-11-14(8-9-16(17)13-5-2-1-3-6-13)19-25-18(26-27-19)15-7-4-10-24-12-15;21-20(22,23)17-12-15(6-7-16(17)13-4-2-1-3-5-13)19-25-18(26-27-19)14-8-10-24-11-9-14;1-3-20-13-6-4-5-12(9-13)16-18-15(19-21-16)14-7-8-17-10-11(14)2/h2*2-12H,1H3;1-11H,(H2,24,25);2*1-12H;4-10H,3H2,1-2H3.

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

5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 2161.03 g/mol, XLogP of 31.13, 19 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 161104368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).