5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

C100H89F3N18O11S — CID 158092922

About 5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 158092922) has the molecular formula C100H89F3N18O11S and a molecular weight of 1807.99 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 158092922
• Molecular Formula: C100H89F3N18O11S
• Molecular Weight: 1807.99 g/mol
• Exact Mass: 1806.66
• IUPAC Name: 5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CCCCc1ccc(-c2nc(-c3ccncc3)no2)cc1.CCOc1cc(-c2nc(-c3ccncc3)no2)ccc1OC.CCn1nc(C)cc1-c1nc(-c2ccc(C)c(OC)c2)no1.COc1cc(-c2noc(-c3cc4ccccc4s3)n2)ccc1C.COc1cc(-c2noc(-c3ccc(C#N)c(C)c3)n2)ccc1C.Cc1ccc(-c2nc(-c3ccncc3)no2)cc1C(F)(F)F
• InChI: InChI=1S/C18H15N3O2.C18H14N2O2S.C17H17N3O.C16H18N4O2.C16H15N3O3.C15H10F3N3O/c1-11-4-5-13(9-16(11)22-3)17-20-18(23-21-17)14-6-7-15(10-19)12(2)8-14;1-11-7-8-13(9-14(11)21-2)17-19-18(22-20-17)16-10-12-5-3-4-6-15(12)23-16;1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14;1-5-20-13(8-11(3)18-20)16-17-15(19-22-16)12-7-6-10(2)14(9-12)21-4;1-3-21-14-10-12(4-5-13(14)20-2)16-18-15(19-22-16)11-6-8-17-9-7-11;1-9-2-3-11(8-12(9)15(16,17)18)14-20-13(21-22-14)10-4-6-19-7-5-10/h4-9H,1-3H3;3-10H,1-2H3;5-12H,2-4H2,1H3;6-9H,5H2,1-4H3;4-10H,3H2,1-2H3;2-8H,1H3
• InChIKey: FOIBKRFPEPQTJA-UHFFFAOYSA-N
• XLogP: 23.55
• TPSA: 359.95 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1807.99
LogP ≤ 5	23.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 158092922) is 5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is CCCCc1ccc(-c2nc(-c3ccncc3)no2)cc1.CCOc1cc(-c2nc(-c3ccncc3)no2)ccc1OC.CCn1nc(C)cc1-c1nc(-c2ccc(C)c(OC)c2)no1.COc1cc(-c2noc(-c3cc4ccccc4s3)n2)ccc1C.COc1cc(-c2noc(-c3ccc(C#N)c(C)c3)n2)ccc1C.Cc1ccc(-c2nc(-c3ccncc3)no2)cc1C(F)(F)F.

What is the InChIKey of 5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is FOIBKRFPEPQTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2.C18H14N2O2S.C17H17N3O.C16H18N4O2.C16H15N3O3.C15H10F3N3O/c1-11-4-5-13(9-16(11)22-3)17-20-18(23-21-17)14-6-7-15(10-19)12(2)8-14;1-11-7-8-13(9-14(11)21-2)17-19-18(22-20-17)16-10-12-5-3-4-6-15(12)23-16;1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14;1-5-20-13(8-11(3)18-20)16-17-15(19-22-16)12-7-6-10(2)14(9-12)21-4;1-3-21-14-10-12(4-5-13(14)20-2)16-18-15(19-22-16)11-6-8-17-9-7-11;1-9-2-3-11(8-12(9)15(16,17)18)14-20-13(21-22-14)10-4-6-19-7-5-10/h4-9H,1-3H3;3-10H,1-2H3;5-12H,2-4H2,1H3;6-9H,5H2,1-4H3;4-10H,3H2,1-2H3;2-8H,1H3.

What are the key properties of 5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?

5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 1807.99 g/mol, XLogP of 23.55, 22 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-benzothiophen-2-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(4-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158092922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).