5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C79H65F6N9O6 — CID 157065994

IUPAC5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1cccc(-c2nc(-c3ccncc3)no2)c1.CCOc1ccc(-c2nc(-c3ccccc3C)no2)cc1OCC.Cc1ccccc1-c1noc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)n1.FC(F)(F)c1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C22H15F3N2O.C21H13F3N2O.C19H20N2O3.C17H17N3O/c1-14-7-5-6-10-19(14)20-26-21(28-27-20)17-11-16(15-8-3-2-4-9-15)12-18(13-17)22(23,24)25;22-21(23,24)18-12-16(14-7-3-1-4-8-14)11-17(13-18)20-25-19(26-27-20)15-9-5-2-6-10-15;1-4-22-16-11-10-14(12-17(16)23-5-2)19-20-18(21-24-19)15-9-7-6-8-13(15)3;1-17(2,3)14-6-4-5-13(11-14)16-19-15(20-21-16)12-7-9-18-10-8-12/h2-13H,1H3;1-13H;6-12H,4-5H2,1-3H3;4-11H,1-3H3
InChIKeyABWNOLHBMVVHIS-UHFFFAOYSA-N
MW1350.43 g/mol
LogP21.09
Rot. Bonds14

About 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 157065994) has the molecular formula C79H65F6N9O6 and a molecular weight of 1350.43 g/mol. Its IUPAC name is 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID157065994
Molecular FormulaC79H65F6N9O6
Molecular Weight1350.43 g/mol
Exact Mass1349.50
IUPAC Name5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1cccc(-c2nc(-c3ccncc3)no2)c1.CCOc1ccc(-c2nc(-c3ccccc3C)no2)cc1OCC.Cc1ccccc1-c1noc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)n1.FC(F)(F)c1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C22H15F3N2O.C21H13F3N2O.C19H20N2O3.C17H17N3O/c1-14-7-5-6-10-19(14)20-26-21(28-27-20)17-11-16(15-8-3-2-4-9-15)12-18(13-17)22(23,24)25;22-21(23,24)18-12-16(14-7-3-1-4-8-14)11-17(13-18)20-25-19(26-27-20)15-9-5-2-6-10-15;1-4-22-16-11-10-14(12-17(16)23-5-2)19-20-18(21-24-19)15-9-7-6-8-13(15)3;1-17(2,3)14-6-4-5-13(11-14)16-19-15(20-21-16)12-7-9-18-10-8-12/h2-13H,1H3;1-13H;6-12H,4-5H2,1-3H3;4-11H,1-3H3
InChIKeyABWNOLHBMVVHIS-UHFFFAOYSA-N
XLogP21.09
TPSA187.03 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001350.43
LogP ≤ 521.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[3-Ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 137385172
5-(4-Cyclohexylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 157101358
5-(3-Ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;4-[5-(3-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;3-(3-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(5-methyl-3-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 157121213
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-[3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 157251544
tert-butyl 4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 157293918
[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol;3-[4-(2,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;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;N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline;3-pyridin-4-yl-5-(3-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 157302889
5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;6-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one;5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 157377272
Tert-butyl 4-[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoyl]piperazine-1-carboxylate;tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-piperazin-1-ylmethanone;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;2-(3-ethoxy-4-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 157484034
5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-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 157882679
tert-butyl 4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate;[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;4-[3-(3,4-diethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine;5-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;3-(1-methylpiperidin-4-yl)-5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 157887374
1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3,4-diethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[4-[5-(3-ethoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine;5-(3-ethoxy-4-methylphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[4-phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 157914861
5-(3-Tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;2-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile;5-(3-phenylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)benzonitrile
CID 158053300

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 157065994) is 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is CC(C)(C)c1cccc(-c2nc(-c3ccncc3)no2)c1.CCOc1ccc(-c2nc(-c3ccccc3C)no2)cc1OCC.Cc1ccccc1-c1noc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)n1.FC(F)(F)c1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is ABWNOLHBMVVHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O.C21H13F3N2O.C19H20N2O3.C17H17N3O/c1-14-7-5-6-10-19(14)20-26-21(28-27-20)17-11-16(15-8-3-2-4-9-15)12-18(13-17)22(23,24)25;22-21(23,24)18-12-16(14-7-3-1-4-8-14)11-17(13-18)20-25-19(26-27-20)15-9-5-2-6-10-15;1-4-22-16-11-10-14(12-17(16)23-5-2)19-20-18(21-24-19)15-9-7-6-8-13(15)3;1-17(2,3)14-6-4-5-13(11-14)16-19-15(20-21-16)12-7-9-18-10-8-12/h2-13H,1H3;1-13H;6-12H,4-5H2,1-3H3;4-11H,1-3H3.
What are the key properties of 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 1350.43 g/mol, XLogP of 21.09, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 157065994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).