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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C102H102F3N17O8 — CID 157251544

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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 157251544) has the molecular formula C102H102F3N17O8 and a molecular weight of 1751.04 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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 157251544
• Molecular Formula: C102H102F3N17O8
• Molecular Weight: 1751.04 g/mol
• Exact Mass: 1749.80
• 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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;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(-c2nc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)no2)cc1.c1cc(-c2noc(C3CCCCC3)n2)ccn1.c1ccc(Cc2nc(-c3ccncc3)no2)cc1
• InChI: InChI=1S/C24H20F3N3O.C18H18N2O3.C17H23N3O.C16H15N3O.C14H11N3O.C13H15N3O/c1-30(2)15-16-8-10-18(11-9-16)23-28-22(29-31-23)19-12-13-20(17-6-4-3-5-7-17)21(14-19)24(25,26)27;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;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: AWKCWURAZRJSJQ-UHFFFAOYSA-N
• XLogP: 24.52
• TPSA: 306.78 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1751.04
LogP ≤ 5	24.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 157251544) 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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;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(-c2nc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)no2)cc1.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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is AWKCWURAZRJSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O.C18H18N2O3.C17H23N3O.C16H15N3O.C14H11N3O.C13H15N3O/c1-30(2)15-16-8-10-18(11-9-16)23-28-22(29-31-23)19-12-13-20(17-6-4-3-5-7-17)21(14-19)24(25,26)27;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;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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 1751.04 g/mol, XLogP of 24.52, 25 rotatable bonds, 0 hydrogen bond donors, and 25 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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 157251544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).