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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole

C97H96N20O8 — CID 157088021

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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 157088021) has the molecular formula C97H96N20O8 and a molecular weight of 1669.97 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
• PubChem CID: 157088021
• Molecular Formula: C97H96N20O8
• Molecular Weight: 1669.97 g/mol
• Exact Mass: 1668.77
• 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
• SMILES: CC(C)(C)c1cc(-c2nc(-c3ccncc3)no2)cc(C(C)(C)C)c1.CCOc1ccc(-c2nc(-c3cncc(C)c3)no2)cc1OCC.CCn1nc(C)cc1-c1nc(-c2ccncc2)no1.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1cccc(-c2nc(-c3cccnc3)no2)c1.Cc1cncc(-c2noc(-c3cccc(C)c3)n2)c1
• InChI: InChI=1S/C21H25N3O.C18H19N3O3.C16H15N3O.C15H13N3O.C14H11N3O.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;1-10-4-5-13(8-11(10)2)16-18-15(19-20-16)14-6-7-17-9-12(14)3;1-10-4-3-5-12(6-10)15-17-14(18-19-15)13-7-11(2)8-16-9-13;1-10-4-2-5-11(8-10)14-16-13(17-18-14)12-6-3-7-15-9-12;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;4-9H,1-3H3;3-9H,1-2H3;2-9H,1H3;4-8H,3H2,1-2H3
• InChIKey: AEHXOMFIZGBPMD-UHFFFAOYSA-N
• XLogP: 21.87
• TPSA: 347.14 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1669.97
LogP ≤ 5	21.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 157088021) 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is CC(C)(C)c1cc(-c2nc(-c3ccncc3)no2)cc(C(C)(C)C)c1.CCOc1ccc(-c2nc(-c3cncc(C)c3)no2)cc1OCC.CCn1nc(C)cc1-c1nc(-c2ccncc2)no1.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1cccc(-c2nc(-c3cccnc3)no2)c1.Cc1cncc(-c2noc(-c3cccc(C)c3)n2)c1.

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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?

The InChIKey is AEHXOMFIZGBPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.C18H19N3O3.C16H15N3O.C15H13N3O.C14H11N3O.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;1-10-4-5-13(8-11(10)2)16-18-15(19-20-16)14-6-7-17-9-12(14)3;1-10-4-3-5-12(6-10)15-17-14(18-19-15)13-7-11(2)8-16-9-13;1-10-4-2-5-11(8-10)14-16-13(17-18-14)12-6-3-7-15-9-12;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;4-9H,1-3H3;3-9H,1-2H3;2-9H,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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 1669.97 g/mol, XLogP of 21.87, 17 rotatable bonds, 0 hydrogen bond donors, and 28 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 157088021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).