tert-butyl 4-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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

C126H139ClF9N19O17 — CID 159677890

About tert-butyl 4-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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 159677890) has the molecular formula C126H139ClF9N19O17 and a molecular weight of 2398.05 g/mol. Its IUPAC name is tert-butyl 4-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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: 159677890
• Molecular Formula: C126H139ClF9N19O17
• Molecular Weight: 2398.05 g/mol
• Exact Mass: 2396.01
• IUPAC Name: tert-butyl 4-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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(-c2nc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3C)no2)cc1OC.CN1CCC(c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)CC1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1Cl
• InChI: InChI=1S/C28H34N4O6.C25H26F3N3O3.C21H20F3N3O.C21H29N3O4.C17H23N3O2.C14H7ClF3N3O/c1-7-36-22-11-9-19(17-23(22)35-6)25-29-24(30-38-25)21-10-8-20(16-18(21)2)26(33)31-12-14-32(15-13-31)27(34)37-28(3,4)5;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;1-27-11-9-15(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;1-4-21-15-11-14(6-5-12(15)2)17-18-16(19-22-17)13-7-9-20(3)10-8-13;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/h8-11,16-17H,7,12-15H2,1-6H3;4-10,15,17H,11-14H2,1-3H3;2-8,13,15H,9-12H2,1H3;7-8,13,15H,6,9-12H2,1-5H3;5-6,11,13H,4,7-10H2,1-3H3;1-7H
• InChIKey: MUVLWGHRSXLZIZ-UHFFFAOYSA-N
• XLogP: 28.86
• TPSA: 398.74 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2398.05
LogP ≤ 5	28.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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 159677890) is tert-butyl 4-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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(-c2nc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3C)no2)cc1OC.CN1CCC(c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)CC1.FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1Cl.

What is the InChIKey of tert-butyl 4-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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 MUVLWGHRSXLZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O6.C25H26F3N3O3.C21H20F3N3O.C21H29N3O4.C17H23N3O2.C14H7ClF3N3O/c1-7-36-22-11-9-19(17-23(22)35-6)25-29-24(30-38-25)21-10-8-20(16-18(21)2)26(33)31-12-14-32(15-13-31)27(34)37-28(3,4)5;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;1-27-11-9-15(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;1-4-21-15-11-14(6-5-12(15)2)17-18-16(19-22-17)13-7-9-20(3)10-8-13;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/h8-11,16-17H,7,12-15H2,1-6H3;4-10,15,17H,11-14H2,1-3H3;2-8,13,15H,9-12H2,1H3;7-8,13,15H,6,9-12H2,1-5H3;5-6,11,13H,4,7-10H2,1-3H3;1-7H.

What are the key properties of tert-butyl 4-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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 2398.05 g/mol, XLogP of 28.86, 22 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;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;5-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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 159677890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).