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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C130H112F13N17O22S — CID 159084687

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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 159084687) has the molecular formula C130H112F13N17O22S and a molecular weight of 2543.46 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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• PubChem CID: 159084687
• Molecular Formula: C130H112F13N17O22S
• Molecular Weight: 2543.46 g/mol
• Exact Mass: 2541.77
• 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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)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.COc1ccccc1-c1noc(-c2ccc(-c3c(C)noc3C)c(C)c2)n1.Cc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1cscc1C.Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C(F)(F)F
• InChI: InChI=1S/C23H14F6N2O2.C23H17F3N2O3.C21H15F3N2O2S.C21H23FN4O6.C21H24N4O6.C21H19N3O3/c1-13-6-2-3-7-15(13)16-11-10-14(12-18(16)22(24,25)26)21-30-20(31-33-21)17-8-4-5-9-19(17)32-23(27,28)29;1-14-7-3-4-8-16(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;1-12-9-14(7-8-15(12)17-11-29-10-13(17)2)20-25-19(26-28-20)16-5-3-4-6-18(16)27-21(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/h2-12H,1H3;3-13H,1-2H3;3-11H,1-2H3;4-7,12-13H,8-11H2,1-3H3;4-9,14H,10-13H2,1-3H3;5-11H,1-4H3
• InChIKey: KBHLRQWDWGUTSB-UHFFFAOYSA-N
• XLogP: 32.20
• TPSA: 453.84 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 39
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2543.46
LogP ≤ 5	32.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 159084687) 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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)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.COc1ccccc1-c1noc(-c2ccc(-c3c(C)noc3C)c(C)c2)n1.Cc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1cscc1C.Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C(F)(F)F.

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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?

The InChIKey is KBHLRQWDWGUTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F6N2O2.C23H17F3N2O3.C21H15F3N2O2S.C21H23FN4O6.C21H24N4O6.C21H19N3O3/c1-13-6-2-3-7-15(13)16-11-10-14(12-18(16)22(24,25)26)21-30-20(31-33-21)17-8-4-5-9-19(17)32-23(27,28)29;1-14-7-3-4-8-16(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;1-12-9-14(7-8-15(12)17-11-29-10-13(17)2)20-25-19(26-28-20)16-5-3-4-6-18(16)27-21(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/h2-12H,1H3;3-13H,1-2H3;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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 2543.46 g/mol, XLogP of 32.20, 39 rotatable bonds, 0 hydrogen bond donors, and 38 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;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-methyl-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159084687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).