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

C98H92F3N19O10 — CID 160731097

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

5-(3-methoxy-4-methylphenyl)-3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methoxy-4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-(4-octylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 160731097) has the molecular formula C98H92F3N19O10 and a molecular weight of 1752.93 g/mol. Its IUPAC name is 5-(3-methoxy-4-methylphenyl)-3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methoxy-4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-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-methoxy-4-methylphenyl)-3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methoxy-4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-(4-octylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 160731097
• Molecular Formula: C98H92F3N19O10
• Molecular Weight: 1752.93 g/mol
• Exact Mass: 1751.72
• IUPAC Name: 5-(3-methoxy-4-methylphenyl)-3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methoxy-4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-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.COc1cc(-c2nc(-c3cccnc3)no2)ccc1C.COc1cc(-c2nc(-c3cccnc3C)no2)ccc1C.COc1cc(-c2nc(-c3ccnc(N)c3)no2)ccc1C.COc1cc(-c2nc(-c3cncc(C)c3)no2)ccc1C.Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C(F)(F)F
• InChI: InChI=1S/C21H25N3O.2C16H15N3O2.C15H10F3N3O.C15H14N4O2.C15H13N3O2/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;1-10-6-13(9-17-8-10)15-18-16(21-19-15)12-5-4-11(2)14(7-12)20-3;1-10-6-7-12(9-14(10)20-3)16-18-15(19-21-16)13-5-4-8-17-11(13)2;1-9-4-5-10(7-12(9)15(16,17)18)14-20-13(21-22-14)11-3-2-6-19-8-11;1-9-3-4-11(7-12(9)20-2)15-18-14(19-21-15)10-5-6-17-13(16)8-10;1-10-5-6-11(8-13(10)19-2)15-17-14(18-20-15)12-4-3-7-16-9-12/h9-16H,2-8H2,1H3;2*4-9H,1-3H3;2-8H,1H3;3-8H,1-2H3,(H2,16,17);3-9H,1-2H3
• InChIKey: RUISMULRFWEPGL-UHFFFAOYSA-N
• XLogP: 22.49
• TPSA: 373.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1752.93
LogP ≤ 5	22.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-methylphenyl)-3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methoxy-4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-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-methoxy-4-methylphenyl)-3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methoxy-4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-(4-octylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 160731097) is 5-(3-methoxy-4-methylphenyl)-3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methoxy-4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-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-methoxy-4-methylphenyl)-3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methoxy-4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-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-methoxy-4-methylphenyl)-3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methoxy-4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-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.COc1cc(-c2nc(-c3cccnc3)no2)ccc1C.COc1cc(-c2nc(-c3cccnc3C)no2)ccc1C.COc1cc(-c2nc(-c3ccnc(N)c3)no2)ccc1C.COc1cc(-c2nc(-c3cncc(C)c3)no2)ccc1C.Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C(F)(F)F.

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

The InChIKey is RUISMULRFWEPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.2C16H15N3O2.C15H10F3N3O.C15H14N4O2.C15H13N3O2/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;1-10-6-13(9-17-8-10)15-18-16(21-19-15)12-5-4-11(2)14(7-12)20-3;1-10-6-7-12(9-14(10)20-3)16-18-15(19-21-16)13-5-4-8-17-11(13)2;1-9-4-5-10(7-12(9)15(16,17)18)14-20-13(21-22-14)11-3-2-6-19-8-11;1-9-3-4-11(7-12(9)20-2)15-18-14(19-21-15)10-5-6-17-13(16)8-10;1-10-5-6-11(8-13(10)19-2)15-17-14(18-20-15)12-4-3-7-16-9-12/h9-16H,2-8H2,1H3;2*4-9H,1-3H3;2-8H,1H3;3-8H,1-2H3,(H2,16,17);3-9H,1-2H3.

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

5-(3-methoxy-4-methylphenyl)-3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methoxy-4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-(4-octylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 1752.93 g/mol, XLogP of 22.49, 23 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methoxy-4-methylphenyl)-3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-methoxy-4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-(4-octylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 160731097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).