5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

C127H117F9N18O12S3 — CID 158700963

About 5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (PubChem CID 158700963) has the molecular formula C127H117F9N18O12S3 and a molecular weight of 2354.63 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
• PubChem CID: 158700963
• Molecular Formula: C127H117F9N18O12S3
• Molecular Weight: 2354.63 g/mol
• Exact Mass: 2352.81
• IUPAC Name: 5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
• SMILES: CCOc1ccc(-c2nc(-c3cccc(C)c3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(N)c3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccnc4[nH]ccc34)no2)cc1OCC.Cc1c(CN(C)C)cccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.Cc1c(CN2CCCC2)cccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.FC(F)(F)c1sc(-c2nc(-c3ccc4c(c3)CCN4)no2)cc1-c1ccccc1
• InChI: InChI=1S/C25H22F3N3OS.C23H20F3N3OS.C21H14F3N3OS.C20H22N2O3.C19H18N4O3.C19H21N3O3/c1-16-18(15-31-12-5-6-13-31)10-7-11-19(16)23-29-24(32-30-23)21-14-20(17-8-3-2-4-9-17)22(33-21)25(26,27)28;1-14-16(13-29(2)3)10-7-11-17(14)21-27-22(30-28-21)19-12-18(15-8-5-4-6-9-15)20(31-19)23(24,25)26;22-21(23,24)18-15(12-4-2-1-3-5-12)11-17(29-18)20-26-19(27-28-20)14-6-7-16-13(10-14)8-9-25-16;1-5-23-17-11-10-15(12-18(17)24-6-2)20-21-19(22-25-20)16-9-7-8-13(3)14(16)4;1-3-24-15-6-5-12(11-16(15)25-4-2)19-22-18(23-26-19)14-8-10-21-17-13(14)7-9-20-17;1-4-23-16-10-9-13(11-17(16)24-5-2)19-21-18(22-25-19)14-7-6-8-15(20)12(14)3/h2-4,7-11,14H,5-6,12-13,15H2,1H3;4-12H,13H2,1-3H3;1-7,10-11,25H,8-9H2;7-12H,5-6H2,1-4H3;5-11H,3-4H2,1-2H3,(H,20,21);6-11H,4-5,20H2,1-3H3
• InChIKey: IHNQMWVKBGDNEK-UHFFFAOYSA-N
• XLogP: 32.68
• TPSA: 362.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2354.63
LogP ≤ 5	32.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The IUPAC name of 5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (CID 158700963) is 5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The canonical SMILES for 5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3cccc(C)c3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc(N)c3C)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccnc4[nH]ccc34)no2)cc1OCC.Cc1c(CN(C)C)cccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.Cc1c(CN2CCCC2)cccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.FC(F)(F)c1sc(-c2nc(-c3ccc4c(c3)CCN4)no2)cc1-c1ccccc1.

What is the InChIKey of 5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The InChIKey is IHNQMWVKBGDNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3OS.C23H20F3N3OS.C21H14F3N3OS.C20H22N2O3.C19H18N4O3.C19H21N3O3/c1-16-18(15-31-12-5-6-13-31)10-7-11-19(16)23-29-24(32-30-23)21-14-20(17-8-3-2-4-9-17)22(33-21)25(26,27)28;1-14-16(13-29(2)3)10-7-11-17(14)21-27-22(30-28-21)19-12-18(15-8-5-4-6-9-15)20(31-19)23(24,25)26;22-21(23,24)18-15(12-4-2-1-3-5-12)11-17(29-18)20-26-19(27-28-20)14-6-7-16-13(10-14)8-9-25-16;1-5-23-17-11-10-15(12-18(17)24-6-2)20-21-19(22-25-20)16-9-7-8-13(3)14(16)4;1-3-24-15-6-5-12(11-16(15)25-4-2)19-22-18(23-26-19)14-8-10-21-17-13(14)7-9-20-17;1-4-23-16-10-9-13(11-17(16)24-5-2)19-21-18(22-25-19)14-7-6-8-15(20)12(14)3/h2-4,7-11,14H,5-6,12-13,15H2,1H3;4-12H,13H2,1-3H3;1-7,10-11,25H,8-9H2;7-12H,5-6H2,1-4H3;5-11H,3-4H2,1-2H3,(H,20,21);6-11H,4-5,20H2,1-3H3.

What are the key properties of 5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole has a molecular weight of 2354.63 g/mol, XLogP of 32.68, 31 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-diethoxyphenyl)-3-(2,3-dimethylphenyl)-1,2,4-oxadiazole;3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;5-(3,4-diethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 158700963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).