5-(3-methylphenyl)-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

C117H78F15N19O6 — CID 157138735

About 5-(3-methylphenyl)-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-methylphenyl)-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 157138735) has the molecular formula C117H78F15N19O6 and a molecular weight of 2131.01 g/mol. Its IUPAC name is 5-(3-methylphenyl)-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-methylphenyl)-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: 157138735
• Molecular Formula: C117H78F15N19O6
• Molecular Weight: 2131.01 g/mol
• Exact Mass: 2129.61
• IUPAC Name: 5-(3-methylphenyl)-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: Cc1cccc(-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.C15H13N3O/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;1-10-4-3-5-12(8-10)15-17-14(18-19-15)13-6-7-16-9-11(13)2/h2*2-12H,1H3;1-11H,(H2,24,25);2*1-12H;3-9H,1-2H3
• InChIKey: AJYALCPSBFCPEW-UHFFFAOYSA-N
• XLogP: 31.04
• TPSA: 336.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2131.01
LogP ≤ 5	31.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-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-methylphenyl)-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 157138735) is 5-(3-methylphenyl)-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-methylphenyl)-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-methylphenyl)-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 Cc1cccc(-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-methylphenyl)-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 AJYALCPSBFCPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H14F3N3O.C20H13F3N4O.2C20H12F3N3O.C15H13N3O/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;1-10-4-3-5-12(8-10)15-17-14(18-19-15)13-6-7-16-9-11(13)2/h2*2-12H,1H3;1-11H,(H2,24,25);2*1-12H;3-9H,1-2H3.

What are the key properties of 5-(3-methylphenyl)-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-methylphenyl)-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 2131.01 g/mol, XLogP of 31.04, 17 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methylphenyl)-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 157138735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).