5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C91H80FN19O13 — CID 158207630

About 5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 158207630) has the molecular formula C91H80FN19O13 and a molecular weight of 1666.76 g/mol. Its IUPAC name is 5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 158207630
• Molecular Formula: C91H80FN19O13
• Molecular Weight: 1666.76 g/mol
• Exact Mass: 1665.62
• IUPAC Name: 5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CCOc1cccc(-c2nc(-c3ccncc3)no2)c1.COc1cc(-c2nc(-c3ccc(C)c(OC)c3)no2)ccn1.COc1cc(-c2nc(-c3ccncc3)no2)ccc1C.COc1cc(-c2noc(-c3ccnc(F)c3)n2)ccc1C.COc1cc(-c2noc(-c3ccnnc3)n2)ccc1C.COc1cc(-c2noc(Cc3ccncc3)n2)ccc1C
• InChI: InChI=1S/C16H15N3O3.C16H15N3O2.C15H12FN3O2.2C15H13N3O2.C14H12N4O2/c1-10-4-5-11(8-13(10)20-2)15-18-16(22-19-15)12-6-7-17-14(9-12)21-3;1-11-3-4-13(10-14(11)20-2)16-18-15(21-19-16)9-12-5-7-17-8-6-12;1-9-3-4-10(7-12(9)20-2)14-18-15(21-19-14)11-5-6-17-13(16)8-11;1-10-3-4-12(9-13(10)19-2)15-17-14(18-20-15)11-5-7-16-8-6-11;1-2-19-13-5-3-4-12(10-13)15-17-14(18-20-15)11-6-8-16-9-7-11;1-9-3-4-10(7-12(9)19-2)13-17-14(20-18-13)11-5-6-15-16-8-11/h4-9H,1-3H3;3-8,10H,9H2,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-10H,2H2,1H3;3-8H,1-2H3
• InChIKey: GBRLPNXYBDNNSL-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 388.36 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1666.76
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 158207630) is 5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is CCOc1cccc(-c2nc(-c3ccncc3)no2)c1.COc1cc(-c2nc(-c3ccc(C)c(OC)c3)no2)ccn1.COc1cc(-c2nc(-c3ccncc3)no2)ccc1C.COc1cc(-c2noc(-c3ccnc(F)c3)n2)ccc1C.COc1cc(-c2noc(-c3ccnnc3)n2)ccc1C.COc1cc(-c2noc(Cc3ccncc3)n2)ccc1C.

What is the InChIKey of 5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is GBRLPNXYBDNNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3.C16H15N3O2.C15H12FN3O2.2C15H13N3O2.C14H12N4O2/c1-10-4-5-11(8-13(10)20-2)15-18-16(22-19-15)12-6-7-17-14(9-12)21-3;1-11-3-4-13(10-14(11)20-2)16-18-15(21-19-16)9-12-5-7-17-8-6-12;1-9-3-4-10(7-12(9)20-2)14-18-15(21-19-14)11-5-6-17-13(16)8-11;1-10-3-4-12(9-13(10)19-2)15-17-14(18-20-15)11-5-7-16-8-6-11;1-2-19-13-5-3-4-12(10-13)15-17-14(18-20-15)11-6-8-16-9-7-11;1-9-3-4-10(7-12(9)19-2)13-17-14(20-18-13)11-5-6-15-16-8-11/h4-9H,1-3H3;3-8,10H,9H2,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-10H,2H2,1H3;3-8H,1-2H3.

What are the key properties of 5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 1666.76 g/mol, XLogP of 18.24, 21 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158207630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).