N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C141H140F6N26O24 — CID 158499396

About N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 158499396) has the molecular formula C141H140F6N26O24 and a molecular weight of 2696.82 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• PubChem CID: 158499396
• Molecular Formula: C141H140F6N26O24
• Molecular Weight: 2696.82 g/mol
• Exact Mass: 2695.04
• IUPAC Name: N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• SMILES: CCOc1ccccc1-c1noc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1.CN(c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1[N+](=O)[O-])C1CCCCC1.COc1ccccc1-c1noc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1.COc1ccccc1-c1noc(-c2ccc(N3CCCCC3)cc2)n1.COc1ccccc1-c1noc(-c2ccc(N3CCOCC3)c(N)c2)n1.COc1ccccc1-c1noc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1.FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(N3CCCCC3)cc2)n1
• InChI: InChI=1S/C22H21F3N4O4.C21H22N4O4.C20H18F3N3O2.C20H20N4O4.C20H21N3O2.C19H18N4O5.C19H20N4O3/c1-28(15-7-3-2-4-8-15)17-12-11-14(13-18(17)29(30)31)21-26-20(27-33-21)16-9-5-6-10-19(16)32-22(23,24)25;1-2-28-19-9-5-4-8-16(19)20-22-21(29-23-20)15-10-11-17(18(14-15)25(26)27)24-12-6-3-7-13-24;21-20(22,23)27-17-7-3-2-6-16(17)18-24-19(28-25-18)14-8-10-15(11-9-14)26-12-4-1-5-13-26;1-27-18-8-4-3-7-15(18)19-21-20(28-22-19)14-9-10-16(17(13-14)24(25)26)23-11-5-2-6-12-23;1-24-18-8-4-3-7-17(18)19-21-20(25-22-19)15-9-11-16(12-10-15)23-13-5-2-6-14-23;1-26-17-5-3-2-4-14(17)18-20-19(28-21-18)13-6-7-15(16(12-13)23(24)25)22-8-10-27-11-9-22;1-24-17-5-3-2-4-14(17)18-21-19(26-22-18)13-6-7-16(15(20)12-13)23-8-10-25-11-9-23/h5-6,9-13,15H,2-4,7-8H2,1H3;4-5,8-11,14H,2-3,6-7,12-13H2,1H3;2-3,6-11H,1,4-5,12-13H2;3-4,7-10,13H,2,5-6,11-12H2,1H3;3-4,7-12H,2,5-6,13-14H2,1H3;2-7,12H,8-11H2,1H3;2-7,12H,8-11,20H2,1H3
• InChIKey: HJRXMTJCTYCGTL-UHFFFAOYSA-N
• XLogP: 30.67
• TPSA: 576.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 46
• Rotatable Bonds: 34
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2696.82
LogP ≤ 5	30.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The IUPAC name of N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 158499396) is N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is CCOc1ccccc1-c1noc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1.CN(c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1[N+](=O)[O-])C1CCCCC1.COc1ccccc1-c1noc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1.COc1ccccc1-c1noc(-c2ccc(N3CCCCC3)cc2)n1.COc1ccccc1-c1noc(-c2ccc(N3CCOCC3)c(N)c2)n1.COc1ccccc1-c1noc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1.FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(N3CCCCC3)cc2)n1.

What is the InChIKey of N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The InChIKey is HJRXMTJCTYCGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O4.C21H22N4O4.C20H18F3N3O2.C20H20N4O4.C20H21N3O2.C19H18N4O5.C19H20N4O3/c1-28(15-7-3-2-4-8-15)17-12-11-14(13-18(17)29(30)31)21-26-20(27-33-21)16-9-5-6-10-19(16)32-22(23,24)25;1-2-28-19-9-5-4-8-16(19)20-22-21(29-23-20)15-10-11-17(18(14-15)25(26)27)24-12-6-3-7-13-24;21-20(22,23)27-17-7-3-2-6-16(17)18-24-19(28-25-18)14-8-10-15(11-9-14)26-12-4-1-5-13-26;1-27-18-8-4-3-7-15(18)19-21-20(28-22-19)14-9-10-16(17(13-14)24(25)26)23-11-5-2-6-12-23;1-24-18-8-4-3-7-17(18)19-21-20(25-22-19)15-9-11-16(12-10-15)23-13-5-2-6-14-23;1-26-17-5-3-2-4-14(17)18-20-19(28-21-18)13-6-7-15(16(12-13)23(24)25)22-8-10-27-11-9-22;1-24-17-5-3-2-4-14(17)18-21-19(26-22-18)13-6-7-16(15(20)12-13)23-8-10-25-11-9-23/h5-6,9-13,15H,2-4,7-8H2,1H3;4-5,8-11,14H,2-3,6-7,12-13H2,1H3;2-3,6-11H,1,4-5,12-13H2;3-4,7-10,13H,2,5-6,11-12H2,1H3;3-4,7-12H,2,5-6,13-14H2,1H3;2-7,12H,8-11H2,1H3;2-7,12H,8-11,20H2,1H3.

What are the key properties of N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 2696.82 g/mol, XLogP of 30.67, 34 rotatable bonds, 1 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-methyl-2-nitro-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;3-(2-ethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-morpholin-4-ylaniline;4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitrophenyl]morpholine;3-(2-methoxyphenyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 158499396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).