5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole

C144H147F6N25O14 — CID 159246047

About 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole

5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 159246047) has the molecular formula C144H147F6N25O14 and a molecular weight of 2565.91 g/mol. Its IUPAC name is 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
• PubChem CID: 159246047
• Molecular Formula: C144H147F6N25O14
• Molecular Weight: 2565.91 g/mol
• Exact Mass: 2564.15
• IUPAC Name: 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
• SMILES: CC(C)Cc1ccc(C(C)c2nc(-c3ccc(CN(C)C)cc3)no2)cc1.CC(C)Cc1ccc(C(C)c2nc(-c3ccc(CN4CCCC4)cc3)no2)cc1.CCOc1ccc(-c2nc(-c3ccc(N4CCN(C)CC4)cc3C)no2)cc1OCC.COc1cc(OC)cc(-c2nc(-c3ccncc3)no2)c1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)cc(C(F)(F)F)c1.c1cc(-c2noc(-c3ccc4c(c3)OCCO4)n2)ccn1.c1cc(-c2noc(CC3CCCC3)n2)ccn1.c1ccc(Cc2nc(-c3ccncc3)no2)cc1
• InChI: InChI=1S/C25H31N3O.C24H30N4O3.C23H29N3O.C15H7F6N3O.C15H11N3O3.C15H13N3O3.C14H11N3O.C13H15N3O/c1-18(2)16-20-6-10-22(11-7-20)19(3)25-26-24(27-29-25)23-12-8-21(9-13-23)17-28-14-4-5-15-28;1-5-29-21-10-7-18(16-22(21)30-6-2)24-25-23(26-31-24)20-9-8-19(15-17(20)3)28-13-11-27(4)12-14-28;1-16(2)14-18-6-10-20(11-7-18)17(3)23-24-22(25-27-23)21-12-8-19(9-13-21)15-26(4)5;16-14(17,18)10-5-9(6-11(7-10)15(19,20)21)13-23-12(24-25-13)8-1-3-22-4-2-8;1-2-12-13(20-8-7-19-12)9-11(1)15-17-14(18-21-15)10-3-5-16-6-4-10;1-19-12-7-11(8-13(9-12)20-2)15-17-14(18-21-15)10-3-5-16-6-4-10;1-2-4-11(5-3-1)10-13-16-14(17-18-13)12-6-8-15-9-7-12;1-2-4-10(3-1)9-12-15-13(16-17-12)11-5-7-14-8-6-11/h6-13,18-19H,4-5,14-17H2,1-3H3;7-10,15-16H,5-6,11-14H2,1-4H3;6-13,16-17H,14-15H2,1-5H3;1-7H;1-6,9H,7-8H2;3-9H,1-2H3;1-9H,10H2;5-8,10H,1-4,9H2
• InChIKey: KURSZOPNTFNGMF-UHFFFAOYSA-N
• XLogP: 30.90
• TPSA: 444.15 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 35
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2565.91
LogP ≤ 5	30.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 159246047) is 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole is CC(C)Cc1ccc(C(C)c2nc(-c3ccc(CN(C)C)cc3)no2)cc1.CC(C)Cc1ccc(C(C)c2nc(-c3ccc(CN4CCCC4)cc3)no2)cc1.CCOc1ccc(-c2nc(-c3ccc(N4CCN(C)CC4)cc3C)no2)cc1OCC.COc1cc(OC)cc(-c2nc(-c3ccncc3)no2)c1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)cc(C(F)(F)F)c1.c1cc(-c2noc(-c3ccc4c(c3)OCCO4)n2)ccn1.c1cc(-c2noc(CC3CCCC3)n2)ccn1.c1ccc(Cc2nc(-c3ccncc3)no2)cc1.

What is the InChIKey of 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The InChIKey is KURSZOPNTFNGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O.C24H30N4O3.C23H29N3O.C15H7F6N3O.C15H11N3O3.C15H13N3O3.C14H11N3O.C13H15N3O/c1-18(2)16-20-6-10-22(11-7-20)19(3)25-26-24(27-29-25)23-12-8-21(9-13-23)17-28-14-4-5-15-28;1-5-29-21-10-7-18(16-22(21)30-6-2)24-25-23(26-31-24)20-9-8-19(15-17(20)3)28-13-11-27(4)12-14-28;1-16(2)14-18-6-10-20(11-7-18)17(3)23-24-22(25-27-23)21-12-8-19(9-13-21)15-26(4)5;16-14(17,18)10-5-9(6-11(7-10)15(19,20)21)13-23-12(24-25-13)8-1-3-22-4-2-8;1-2-12-13(20-8-7-19-12)9-11(1)15-17-14(18-21-15)10-3-5-16-6-4-10;1-19-12-7-11(8-13(9-12)20-2)15-17-14(18-21-15)10-3-5-16-6-4-10;1-2-4-11(5-3-1)10-13-16-14(17-18-13)12-6-8-15-9-7-12;1-2-4-10(3-1)9-12-15-13(16-17-12)11-5-7-14-8-6-11/h6-13,18-19H,4-5,14-17H2,1-3H3;7-10,15-16H,5-6,11-14H2,1-4H3;6-13,16-17H,14-15H2,1-5H3;1-7H;1-6,9H,7-8H2;3-9H,1-2H3;1-9H,10H2;5-8,10H,1-4,9H2.

What are the key properties of 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 2565.91 g/mol, XLogP of 30.90, 35 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(cyclopentylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159246047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).