tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C126H146F6N20O16 — CID 157293918

About tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 157293918) has the molecular formula C126H146F6N20O16 and a molecular weight of 2310.67 g/mol. Its IUPAC name is tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• PubChem CID: 157293918
• Molecular Formula: C126H146F6N20O16
• Molecular Weight: 2310.67 g/mol
• Exact Mass: 2309.11
• IUPAC Name: tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• SMILES: CC(C)(C)OC(=O)N1CCC(c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)CC1.CCOc1cc(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)ccc1C.CCOc1cc(-c2nc(C3CCN(C)CC3)no2)ccc1C.CCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(C(=O)N4CCN(C)CC4)cc3C)no2)cc1OCC.CN1CCC(c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)CC1
• InChI: InChI=1S/C25H26F3N3O3.C25H30N4O4.C21H20F3N3O.C21H29N3O4.C17H18N4O2.C17H23N3O2/c1-24(2,3)33-23(32)31-13-11-17(12-14-31)21-29-22(34-30-21)18-9-10-19(16-7-5-4-6-8-16)20(15-18)25(26,27)28;1-5-31-21-10-8-18(16-22(21)32-6-2)24-26-23(27-33-24)20-9-7-19(15-17(20)3)25(30)29-13-11-28(4)12-14-29;1-27-11-9-15(10-12-27)19-25-20(28-26-19)16-7-8-17(14-5-3-2-4-6-14)18(13-16)21(22,23)24;1-6-26-17-13-16(8-7-14(17)2)19-22-18(23-28-19)15-9-11-24(12-10-15)20(25)27-21(3,4)5;1-3-22-14-6-5-13(11-15(14)23-4-2)17-19-16(20-21-17)12-7-9-18-10-8-12;1-4-21-15-11-14(6-5-12(15)2)17-18-16(19-22-17)13-7-9-20(3)10-8-13/h4-10,15,17H,11-14H2,1-3H3;7-10,15-16H,5-6,11-14H2,1-4H3;2-8,13,15H,9-12H2,1H3;7-8,13,15H,6,9-12H2,1-5H3;5-11H,3-4H2,1-2H3,(H,19,20,21);5-6,11,13H,4,7-10H2,1-3H3
• InChIKey: BBCUBIGKJKEQIG-UHFFFAOYSA-N
• XLogP: 26.81
• TPSA: 393.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2310.67
LogP ≤ 5	26.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?

The IUPAC name of tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 157293918) is tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is CC(C)(C)OC(=O)N1CCC(c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)CC1.CCOc1cc(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)ccc1C.CCOc1cc(-c2nc(C3CCN(C)CC3)no2)ccc1C.CCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(C(=O)N4CCN(C)CC4)cc3C)no2)cc1OCC.CN1CCC(c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)CC1.

What is the InChIKey of tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?

The InChIKey is BBCUBIGKJKEQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O3.C25H30N4O4.C21H20F3N3O.C21H29N3O4.C17H18N4O2.C17H23N3O2/c1-24(2,3)33-23(32)31-13-11-17(12-14-31)21-29-22(34-30-21)18-9-10-19(16-7-5-4-6-8-16)20(15-18)25(26,27)28;1-5-31-21-10-8-18(16-22(21)32-6-2)24-26-23(27-33-24)20-9-7-19(15-17(20)3)25(30)29-13-11-28(4)12-14-29;1-27-11-9-15(10-12-27)19-25-20(28-26-19)16-7-8-17(14-5-3-2-4-6-14)18(13-16)21(22,23)24;1-6-26-17-13-16(8-7-14(17)2)19-22-18(23-28-19)15-9-11-24(12-10-15)20(25)27-21(3,4)5;1-3-22-14-6-5-13(11-15(14)23-4-2)17-19-16(20-21-17)12-7-9-18-10-8-12;1-4-21-15-11-14(6-5-12(15)2)17-18-16(19-22-17)13-7-9-20(3)10-8-13/h4-10,15,17H,11-14H2,1-3H3;7-10,15-16H,5-6,11-14H2,1-4H3;2-8,13,15H,9-12H2,1H3;7-8,13,15H,6,9-12H2,1-5H3;5-11H,3-4H2,1-2H3,(H,19,20,21);5-6,11,13H,4,7-10H2,1-3H3.

What are the key properties of tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?

tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 2310.67 g/mol, XLogP of 26.81, 27 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 157293918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).