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

C107H118F6N16O14 — CID 159628537

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-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-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-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 159628537) has the molecular formula C107H118F6N16O14 and a molecular weight of 1966.21 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-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-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-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• PubChem CID: 159628537
• Molecular Formula: C107H118F6N16O14
• Molecular Weight: 1966.21 g/mol
• Exact Mass: 1964.89
• 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-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-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)CC3)no2)ccc1C.CCOc1cc(-c2nnc(-c3ccncc3)o2)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
• InChI: InChI=1S/C28H34N4O6.C25H26F3N3O3.C21H20F3N3O.C17H23N3O2.C16H15N3O2/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;1-4-21-15-11-14(6-5-12(15)2)17-18-16(19-22-17)13-7-9-20(3)10-8-13;1-3-20-14-10-13(5-4-11(14)2)16-19-18-15(21-16)12-6-8-17-9-7-12/h8-11,16-17H,7,12-15H2,1-6H3;4-10,15,17H,11-14H2,1-3H3;2-8,13,15H,9-12H2,1H3;5-6,11,13H,4,7-10H2,1-3H3;4-10H,3H2,1-2H3
• InChIKey: MOUWDARZIBBKQD-UHFFFAOYSA-N
• XLogP: 23.34
• TPSA: 330.28 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1966.21
LogP ≤ 5	23.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

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-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-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-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 159628537) 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-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-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-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-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-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-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)CC3)no2)ccc1C.CCOc1cc(-c2nnc(-c3ccncc3)o2)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.

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-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?

The InChIKey is MOUWDARZIBBKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O6.C25H26F3N3O3.C21H20F3N3O.C17H23N3O2.C16H15N3O2/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;1-4-21-15-11-14(6-5-12(15)2)17-18-16(19-22-17)13-7-9-20(3)10-8-13;1-3-20-14-10-13(5-4-11(14)2)16-19-18-15(21-16)12-6-8-17-9-7-12/h8-11,16-17H,7,12-15H2,1-6H3;4-10,15,17H,11-14H2,1-3H3;2-8,13,15H,9-12H2,1H3;5-6,11,13H,4,7-10H2,1-3H3;4-10H,3H2,1-2H3.

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-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-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-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 1966.21 g/mol, XLogP of 23.34, 20 rotatable bonds, 0 hydrogen bond donors, and 27 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-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159628537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).