4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C96H91N19O15 — CID 157276122

About 4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 157276122) has the molecular formula C96H91N19O15 and a molecular weight of 1750.90 g/mol. Its IUPAC name is 4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 157276122
• Molecular Formula: C96H91N19O15
• Molecular Weight: 1750.90 g/mol
• Exact Mass: 1749.69
• IUPAC Name: 4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CCOc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccncc3)no2)c(C)c1.CCOc1ccc(-c2nc(-c3ccncc3)no2)cc1OCC.CCOc1cccc(-c2nc(-c3ccncc3)no2)c1.COc1cc(-c2nc(-c3ccc(C)c(OC)c3)no2)ccn1.COc1cc(-c2nc(-c3ccncc3)no2)ccc1C
• InChI: InChI=1S/C17H18N4O3.C17H17N3O3.C16H15N3O3.C16H15N3O2.2C15H13N3O2/c1-3-22-13-6-5-12(9-14(13)23-4-2)17-20-16(21-24-17)11-7-8-19-15(18)10-11;1-3-21-14-6-5-13(11-15(14)22-4-2)17-19-16(20-23-17)12-7-9-18-10-8-12;1-10-4-5-11(8-13(10)20-2)15-18-16(22-19-15)12-6-7-17-14(9-12)21-3;1-3-20-13-4-5-14(11(2)10-13)16-18-15(19-21-16)12-6-8-17-9-7-12;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/h5-10H,3-4H2,1-2H3,(H2,18,19);5-11H,3-4H2,1-2H3;4-9H,1-3H3;4-10H,3H2,1-2H3;3-9H,1-2H3;3-10H,2H2,1H3
• InChIKey: AZCVPKBUPNIICS-UHFFFAOYSA-N
• XLogP: 19.72
• TPSA: 419.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1750.90
LogP ≤ 5	19.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 157276122) is 4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccncc3)no2)c(C)c1.CCOc1ccc(-c2nc(-c3ccncc3)no2)cc1OCC.CCOc1cccc(-c2nc(-c3ccncc3)no2)c1.COc1cc(-c2nc(-c3ccc(C)c(OC)c3)no2)ccn1.COc1cc(-c2nc(-c3ccncc3)no2)ccc1C.

What is the InChIKey of 4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is AZCVPKBUPNIICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3.C17H17N3O3.C16H15N3O3.C16H15N3O2.2C15H13N3O2/c1-3-22-13-6-5-12(9-14(13)23-4-2)17-20-16(21-24-17)11-7-8-19-15(18)10-11;1-3-21-14-6-5-13(11-15(14)22-4-2)17-19-16(20-23-17)12-7-9-18-10-8-12;1-10-4-5-11(8-13(10)20-2)15-18-16(22-19-15)12-6-7-17-14(9-12)21-3;1-3-20-13-4-5-14(11(2)10-13)16-18-15(19-21-16)12-6-8-17-9-7-12;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/h5-10H,3-4H2,1-2H3,(H2,18,19);5-11H,3-4H2,1-2H3;4-9H,1-3H3;4-10H,3H2,1-2H3;3-9H,1-2H3;3-10H,2H2,1H3.

What are the key properties of 4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 1750.90 g/mol, XLogP of 19.72, 27 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-ethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 157276122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).