5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C123H117F3N20O9S — CID 158023328

About 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 158023328) has the molecular formula C123H117F3N20O9S and a molecular weight of 2108.48 g/mol. Its IUPAC name is 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 158023328
• Molecular Formula: C123H117F3N20O9S
• Molecular Weight: 2108.48 g/mol
• Exact Mass: 2106.90
• IUPAC Name: 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CCC(c1ccccc1)c1nc(-c2ccncc2)no1.CCCCC1CCC(c2nc(-c3ccncc3)no2)CC1.CCOc1ccc(-c2nc(-c3ccccc3)no2)cc1OCC.CN(C)Cc1ccc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1.Cc1sc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1-c1ccccc1.c1cc(-c2noc(C3CCCCC3)n2)ccn1.c1ccc(Cc2nc(-c3ccncc3)no2)cc1
• InChI: InChI=1S/C24H20F3N3O.C21H15N3OS.C18H18N2O3.C17H23N3O.C16H15N3O.C14H11N3O.C13H15N3O/c1-30(2)15-16-8-10-18(11-9-16)22-28-23(31-29-22)19-12-13-20(17-6-4-3-5-7-17)21(14-19)24(25,26)27;1-13-17(14-6-3-2-4-7-14)12-19(26-13)21-23-20(24-25-21)16-8-5-9-18-15(16)10-11-22-18;1-3-21-15-11-10-14(12-16(15)22-4-2)18-19-17(20-23-18)13-8-6-5-7-9-13;1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14;1-2-14(12-6-4-3-5-7-12)16-18-15(19-20-16)13-8-10-17-11-9-13;1-2-4-11(5-3-1)10-13-16-14(17-18-13)12-6-8-15-9-7-12;1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h3-14H,15H2,1-2H3;2-12,22H,1H3;5-12H,3-4H2,1-2H3;9-13,15H,2-8H2,1H3;3-11,14H,2H2,1H3;1-9H,10H2;6-9,11H,1-5H2
• InChIKey: FGHVFFSKTYYRBV-UHFFFAOYSA-N
• XLogP: 30.44
• TPSA: 361.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2108.48
LogP ≤ 5	30.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 158023328) is 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole is CCC(c1ccccc1)c1nc(-c2ccncc2)no1.CCCCC1CCC(c2nc(-c3ccncc3)no2)CC1.CCOc1ccc(-c2nc(-c3ccccc3)no2)cc1OCC.CN(C)Cc1ccc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1.Cc1sc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1-c1ccccc1.c1cc(-c2noc(C3CCCCC3)n2)ccn1.c1ccc(Cc2nc(-c3ccncc3)no2)cc1.

What is the InChIKey of 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is FGHVFFSKTYYRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O.C21H15N3OS.C18H18N2O3.C17H23N3O.C16H15N3O.C14H11N3O.C13H15N3O/c1-30(2)15-16-8-10-18(11-9-16)22-28-23(31-29-22)19-12-13-20(17-6-4-3-5-7-17)21(14-19)24(25,26)27;1-13-17(14-6-3-2-4-7-14)12-19(26-13)21-23-20(24-25-21)16-8-5-9-18-15(16)10-11-22-18;1-3-21-15-11-10-14(12-16(15)22-4-2)18-19-17(20-23-18)13-8-6-5-7-9-13;1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14;1-2-14(12-6-4-3-5-7-12)16-18-15(19-20-16)13-8-10-17-11-9-13;1-2-4-11(5-3-1)10-13-16-14(17-18-13)12-6-8-15-9-7-12;1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h3-14H,15H2,1-2H3;2-12,22H,1H3;5-12H,3-4H2,1-2H3;9-13,15H,2-8H2,1H3;3-11,14H,2H2,1H3;1-9H,10H2;6-9,11H,1-5H2.

What are the key properties of 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 2108.48 g/mol, XLogP of 30.44, 28 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158023328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).