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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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

C131H146F6N20O18 — CID 157484034

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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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 157484034) has the molecular formula C131H146F6N20O18 and a molecular weight of 2402.72 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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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: 157484034
• Molecular Formula: C131H146F6N20O18
• Molecular Weight: 2402.72 g/mol
• Exact Mass: 2401.10
• 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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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.CCOc1ccc(-c2nc(-c3ccc(C(=O)N4CCNCC4)cc3C)no2)cc1OCC.CN1CCC(c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)CC1
• InChI: InChI=1S/C28H34N4O6.C25H26F3N3O3.C24H28N4O4.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;1-4-30-20-9-7-17(15-21(20)31-5-2)23-26-22(27-32-23)19-8-6-18(14-16(19)3)24(29)28-12-10-25-11-13-28;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;6-9,14-15,25H,4-5,10-13H2,1-3H3;2-8,13,15H,9-12H2,1H3;5-6,11,13H,4,7-10H2,1-3H3;4-10H,3H2,1-2H3
• InChIKey: BWMNUUDXAUMLFN-UHFFFAOYSA-N
• XLogP: 26.89
• TPSA: 420.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2402.72
LogP ≤ 5	26.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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 157484034) 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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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.CCOc1ccc(-c2nc(-c3ccc(C(=O)N4CCNCC4)cc3C)no2)cc1OCC.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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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 BWMNUUDXAUMLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O6.C25H26F3N3O3.C24H28N4O4.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;1-4-30-20-9-7-17(15-21(20)31-5-2)23-26-22(27-32-23)19-8-6-18(14-16(19)3)24(29)28-12-10-25-11-13-28;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;6-9,14-15,25H,4-5,10-13H2,1-3H3;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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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 2402.72 g/mol, XLogP of 26.89, 27 rotatable bonds, 1 hydrogen bond donors, and 34 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;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;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 157484034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).