5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

C98H98N20O12 — CID 159169248

About 5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 159169248) has the molecular formula C98H98N20O12 and a molecular weight of 1747.99 g/mol. Its IUPAC name is 5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 159169248
• Molecular Formula: C98H98N20O12
• Molecular Weight: 1747.99 g/mol
• Exact Mass: 1746.77
• IUPAC Name: 5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CC(C)(C)c1cc(-c2nc(-c3ccncc3)no2)cc(C(C)(C)C)c1.CCOc1ccc(-c2nc(-c3ccncc3)no2)c(O)c1.CCOc1ccc(-c2nc(-c3cncc(C)c3)no2)cc1OCC.CCOc1cccc(-c2nc(-c3cccnc3)no2)c1.CCOc1cccc(-c2nc(-c3cncc(C)c3)no2)c1.CCn1nc(C)cc1-c1nc(-c2ccncc2)no1
• InChI: InChI=1S/C21H25N3O.C18H19N3O3.C16H15N3O2.C15H13N3O3.C15H13N3O2.C13H13N5O/c1-20(2,3)16-11-15(12-17(13-16)21(4,5)6)19-23-18(24-25-19)14-7-9-22-10-8-14;1-4-22-15-7-6-13(9-16(15)23-5-2)18-20-17(21-24-18)14-8-12(3)10-19-11-14;1-3-20-14-6-4-5-12(8-14)16-18-15(19-21-16)13-7-11(2)9-17-10-13;1-2-20-11-3-4-12(13(19)9-11)15-17-14(18-21-15)10-5-7-16-8-6-10;1-2-19-13-7-3-5-11(9-13)15-17-14(18-20-15)12-6-4-8-16-10-12;1-3-18-11(8-9(2)16-18)13-15-12(17-19-13)10-4-6-14-7-5-10/h7-13H,1-6H3;6-11H,4-5H2,1-3H3;4-10H,3H2,1-2H3;3-9,19H,2H2,1H3;3-10H,2H2,1H3;4-8H,3H2,1-2H3
• InChIKey: KLLXQYOFDOPTBK-UHFFFAOYSA-N
• XLogP: 21.23
• TPSA: 395.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1747.99
LogP ≤ 5	21.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 159169248) is 5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is CC(C)(C)c1cc(-c2nc(-c3ccncc3)no2)cc(C(C)(C)C)c1.CCOc1ccc(-c2nc(-c3ccncc3)no2)c(O)c1.CCOc1ccc(-c2nc(-c3cncc(C)c3)no2)cc1OCC.CCOc1cccc(-c2nc(-c3cccnc3)no2)c1.CCOc1cccc(-c2nc(-c3cncc(C)c3)no2)c1.CCn1nc(C)cc1-c1nc(-c2ccncc2)no1.

What is the InChIKey of 5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is KLLXQYOFDOPTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.C18H19N3O3.C16H15N3O2.C15H13N3O3.C15H13N3O2.C13H13N5O/c1-20(2,3)16-11-15(12-17(13-16)21(4,5)6)19-23-18(24-25-19)14-7-9-22-10-8-14;1-4-22-15-7-6-13(9-16(15)23-5-2)18-20-17(21-24-18)14-8-12(3)10-19-11-14;1-3-20-14-6-4-5-12(8-14)16-18-15(19-21-16)13-7-11(2)9-17-10-13;1-2-20-11-3-4-12(13(19)9-11)15-17-14(18-21-15)10-5-7-16-8-6-10;1-2-19-13-7-3-5-11(9-13)15-17-14(18-20-15)12-6-4-8-16-10-12;1-3-18-11(8-9(2)16-18)13-15-12(17-19-13)10-4-6-14-7-5-10/h7-13H,1-6H3;6-11H,4-5H2,1-3H3;4-10H,3H2,1-2H3;3-9,19H,2H2,1H3;3-10H,2H2,1H3;4-8H,3H2,1-2H3.

What are the key properties of 5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?

5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 1747.99 g/mol, XLogP of 21.23, 23 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 159169248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).