3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

C62H42F6N10O5S2 — CID 160794855

IUPAC3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1OCC.FC(F)(F)c1sc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4ccccc34)no2)cc1-c1ccccc1
InChIInChI=1S/C23H13F3N2OS.C20H11F3N4OS.C19H18N4O3/c24-23(25,26)20-18(15-7-2-1-3-8-15)13-19(30-20)22-27-21(28-29-22)17-12-6-10-14-9-4-5-11-16(14)17;21-20(22,23)17-13(11-5-2-1-3-6-11)9-15(29-17)19-26-18(27-28-19)12-7-4-8-14-16(12)25-10-24-14;1-3-24-15-9-8-12(10-16(15)25-4-2)19-22-18(23-26-19)13-6-5-7-14-17(13)21-11-20-14/h1-13H;1-10H,(H,24,25);5-11H,3-4H2,1-2H3,(H,20,21)
InChIKeySCHQDMRWJZHKTL-UHFFFAOYSA-N
MW1185.20 g/mol
LogP17.41
Rot. Bonds12

About 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (PubChem CID 160794855) has the molecular formula C62H42F6N10O5S2 and a molecular weight of 1185.20 g/mol. Its IUPAC name is 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
PubChem CID160794855
Molecular FormulaC62H42F6N10O5S2
Molecular Weight1185.20 g/mol
Exact Mass1184.27
IUPAC Name3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1OCC.FC(F)(F)c1sc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4ccccc34)no2)cc1-c1ccccc1
InChIInChI=1S/C23H13F3N2OS.C20H11F3N4OS.C19H18N4O3/c24-23(25,26)20-18(15-7-2-1-3-8-15)13-19(30-20)22-27-21(28-29-22)17-12-6-10-14-9-4-5-11-16(14)17;21-20(22,23)17-13(11-5-2-1-3-6-11)9-15(29-17)19-26-18(27-28-19)12-7-4-8-14-16(12)25-10-24-14;1-3-24-15-9-8-12(10-16(15)25-4-2)19-22-18(23-26-19)13-6-5-7-14-17(13)21-11-20-14/h1-13H;1-10H,(H,24,25);5-11H,3-4H2,1-2H3,(H,20,21)
InChIKeySCHQDMRWJZHKTL-UHFFFAOYSA-N
XLogP17.41
TPSA192.58 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.20
LogP ≤ 517.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;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;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
CID 157049897
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;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 157148652
3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole
CID 157436810
5-benzyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(4-butylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 158023328
3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole
CID 158204057
5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-one;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 158553686
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
3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;3-(1-benzofuran-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazole;3-(2-methyl-3H-benzimidazol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)furan-2-yl]-1,2,4-oxadiazole
CID 158780836
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;N,N-dimethyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;N,N-dimethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
CID 158791667
5-[3-(4-butylphenyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-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;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 159155863
5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
CID 159157524
5-(3,4-diethoxyphenyl)-3-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;N-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine;1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N,N-dimethylmethanamine;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanol;5-(3,4-diethoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 159218845

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (CID 160794855) is 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1OCC.FC(F)(F)c1sc(-c2nc(-c3cccc4[nH]cnc34)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4ccccc34)no2)cc1-c1ccccc1.
What is the InChIKey of 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
The InChIKey is SCHQDMRWJZHKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N2OS.C20H11F3N4OS.C19H18N4O3/c24-23(25,26)20-18(15-7-2-1-3-8-15)13-19(30-20)22-27-21(28-29-22)17-12-6-10-14-9-4-5-11-16(14)17;21-20(22,23)17-13(11-5-2-1-3-6-11)9-15(29-17)19-26-18(27-28-19)12-7-4-8-14-16(12)25-10-24-14;1-3-24-15-9-8-12(10-16(15)25-4-2)19-22-18(23-26-19)13-6-5-7-14-17(13)21-11-20-14/h1-13H;1-10H,(H,24,25);5-11H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole has a molecular weight of 1185.20 g/mol, XLogP of 17.41, 12 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;3-(1H-benzimidazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-naphthalen-1-yl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 160794855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).