N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C128H114F10N18O24S — CID 158230189

About N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 158230189) has the molecular formula C128H114F10N18O24S and a molecular weight of 2510.47 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• PubChem CID: 158230189
• Molecular Formula: C128H114F10N18O24S
• Molecular Weight: 2510.47 g/mol
• Exact Mass: 2508.78
• IUPAC Name: N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• SMILES: COCCN(CCOC)c1ccc(-c2nc(-c3cc(F)ccc3OC)no2)cc1[N+](=O)[O-].COCCN(CCOC)c1ccc(-c2nc(-c3ccccc3OC)no2)cc1[N+](=O)[O-].COc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1ccccc1C.COc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1cscc1C.COc1ccccc1-c1noc(-c2ccc(-c3c(C)noc3C)c(C)c2)n1.Cc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1c(C)noc1C
• InChI: InChI=1S/C23H17F3N2O3.C21H16F3N3O3.C21H15F3N2O3S.C21H23FN4O6.C21H24N4O6.C21H19N3O3/c1-14-7-3-4-8-16(14)17-12-11-15(13-20(17)29-2)22-27-21(28-31-22)18-9-5-6-10-19(18)30-23(24,25)26;1-11-10-14(8-9-15(11)18-12(2)26-29-13(18)3)20-25-19(27-30-20)16-6-4-5-7-17(16)28-21(22,23)24;1-12-10-30-11-16(12)14-8-7-13(9-18(14)27-2)20-25-19(26-29-20)15-5-3-4-6-17(15)28-21(22,23)24;1-29-10-8-25(9-11-30-2)17-6-4-14(12-18(17)26(27)28)21-23-20(24-32-21)16-13-15(22)5-7-19(16)31-3;1-28-12-10-24(11-13-29-2)17-9-8-15(14-18(17)25(26)27)21-22-20(23-31-21)16-6-4-5-7-19(16)30-3;1-12-11-15(9-10-16(12)19-13(2)23-26-14(19)3)21-22-20(24-27-21)17-7-5-6-8-18(17)25-4/h3-13H,1-2H3;4-10H,1-3H3;3-11H,1-2H3;4-7,12-13H,8-11H2,1-3H3;4-9,14H,10-13H2,1-3H3;5-11H,1-4H3
• InChIKey: GEHBFGLSMNKNQR-UHFFFAOYSA-N
• XLogP: 30.49
• TPSA: 489.10 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 40
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2510.47
LogP ≤ 5	30.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'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,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The IUPAC name of N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 158230189) is N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The canonical SMILES for N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is COCCN(CCOC)c1ccc(-c2nc(-c3cc(F)ccc3OC)no2)cc1[N+](=O)[O-].COCCN(CCOC)c1ccc(-c2nc(-c3ccccc3OC)no2)cc1[N+](=O)[O-].COc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1ccccc1C.COc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1cscc1C.COc1ccccc1-c1noc(-c2ccc(-c3c(C)noc3C)c(C)c2)n1.Cc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1c(C)noc1C.

What is the InChIKey of N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The InChIKey is GEHBFGLSMNKNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3.C21H16F3N3O3.C21H15F3N2O3S.C21H23FN4O6.C21H24N4O6.C21H19N3O3/c1-14-7-3-4-8-16(14)17-12-11-15(13-20(17)29-2)22-27-21(28-31-22)18-9-5-6-10-19(18)30-23(24,25)26;1-11-10-14(8-9-15(11)18-12(2)26-29-13(18)3)20-25-19(27-30-20)16-6-4-5-7-17(16)28-21(22,23)24;1-12-10-30-11-16(12)14-8-7-13(9-18(14)27-2)20-25-19(26-29-20)15-5-3-4-6-17(15)28-21(22,23)24;1-29-10-8-25(9-11-30-2)17-6-4-14(12-18(17)26(27)28)21-23-20(24-32-21)16-13-15(22)5-7-19(16)31-3;1-28-12-10-24(11-13-29-2)17-9-8-15(14-18(17)25(26)27)21-22-20(23-31-21)16-6-4-5-7-19(16)30-3;1-12-11-15(9-10-16(12)19-13(2)23-26-14(19)3)21-22-20(24-27-21)17-7-5-6-8-18(17)25-4/h3-13H,1-2H3;4-10H,1-3H3;3-11H,1-2H3;4-7,12-13H,8-11H2,1-3H3;4-9,14H,10-13H2,1-3H3;5-11H,1-4H3.

What are the key properties of N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 2510.47 g/mol, XLogP of 30.49, 40 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 158230189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).