tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole

C152H158ClF12N21O17 — CID 158421741

About tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole

tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 158421741) has the molecular formula C152H158ClF12N21O17 and a molecular weight of 2814.49 g/mol. Its IUPAC name is tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
• PubChem CID: 158421741
• Molecular Formula: C152H158ClF12N21O17
• Molecular Weight: 2814.49 g/mol
• Exact Mass: 2812.16
• IUPAC Name: tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
• SMILES: CC(C)(C)OC(=O)N1CCC(c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)CC1.CCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN4CCCC4)cc3)no2)cc1OCC.CCOc1ccc(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)cc1OCC.CN1CCC(c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)CC1.FC(F)(F)c1cc(-c2nc(-c3ccc(CN4CCCC4)cc3)no2)ccc1-c1ccccc1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1Cl
• InChI: InChI=1S/C26H22F3N3O.C25H26F3N3O3.C23H27N3O3.C22H31N3O5.C21H20F3N3O.C21H25N3O3.C14H7ClF3N3O/c27-26(28,29)23-16-21(12-13-22(23)19-6-2-1-3-7-19)25-30-24(31-33-25)20-10-8-18(9-11-20)17-32-14-4-5-15-32;1-24(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;1-3-27-20-12-11-19(15-21(20)28-4-2)23-24-22(25-29-23)18-9-7-17(8-10-18)16-26-13-5-6-14-26;1-6-27-17-9-8-16(14-18(17)28-7-2)20-23-19(24-30-20)15-10-12-25(13-11-15)21(26)29-22(3,4)5;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;1-5-25-18-12-11-17(13-19(18)26-6-2)21-22-20(23-27-21)16-9-7-15(8-10-16)14-24(3)4;15-11-2-1-9(7-10(11)14(16,17)18)13-20-12(21-22-13)8-3-5-19-6-4-8/h1-3,6-13,16H,4-5,14-15,17H2;4-10,15,17H,11-14H2,1-3H3;7-12,15H,3-6,13-14,16H2,1-2H3;8-9,14-15H,6-7,10-13H2,1-5H3;2-8,13,15H,9-12H2,1H3;7-13H,5-6,14H2,1-4H3;1-7H
• InChIKey: HAOLHEUIHLXQRE-UHFFFAOYSA-N
• XLogP: 36.63
• TPSA: 412.75 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 35
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2814.49
LogP ≤ 5	36.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The IUPAC name of tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 158421741) is tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole is CC(C)(C)OC(=O)N1CCC(c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)CC1.CCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccc(CN4CCCC4)cc3)no2)cc1OCC.CCOc1ccc(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)cc1OCC.CN1CCC(c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)CC1.FC(F)(F)c1cc(-c2nc(-c3ccc(CN4CCCC4)cc3)no2)ccc1-c1ccccc1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1Cl.

What is the InChIKey of tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

The InChIKey is HAOLHEUIHLXQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O.C25H26F3N3O3.C23H27N3O3.C22H31N3O5.C21H20F3N3O.C21H25N3O3.C14H7ClF3N3O/c27-26(28,29)23-16-21(12-13-22(23)19-6-2-1-3-7-19)25-30-24(31-33-25)20-10-8-18(9-11-20)17-32-14-4-5-15-32;1-24(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;1-3-27-20-12-11-19(15-21(20)28-4-2)23-24-22(25-29-23)18-9-7-17(8-10-18)16-26-13-5-6-14-26;1-6-27-17-9-8-16(14-18(17)28-7-2)20-23-19(24-30-20)15-10-12-25(13-11-15)21(26)29-22(3,4)5;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;1-5-25-18-12-11-17(13-19(18)26-6-2)21-22-20(23-27-21)16-9-7-15(8-10-16)14-24(3)4;15-11-2-1-9(7-10(11)14(16,17)18)13-20-12(21-22-13)8-3-5-19-6-4-8/h1-3,6-13,16H,4-5,14-15,17H2;4-10,15,17H,11-14H2,1-3H3;7-12,15H,3-6,13-14,16H2,1-2H3;8-9,14-15H,6-7,10-13H2,1-5H3;2-8,13,15H,9-12H2,1H3;7-13H,5-6,14H2,1-4H3;1-7H.

What are the key properties of tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?

tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 2814.49 g/mol, XLogP of 36.63, 35 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-(3,4-diethoxyphenyl)-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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 158421741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).