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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole

C112H109N23O11 — CID 158696069

IUPAC5-(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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCC(C)(C)c1cc(-c2nc(-c3ccncc3)no2)cc(C(C)(C)C)c1.CCOc1ccc(-c2nc(-c3ccncc3)no2)c(O)c1.CCOc1ccc(-c2nc(-c3cncc(C)c3)no2)cc1OCC.CCn1nc(C)cc1-c1nc(-c2ccncc2)no1.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1cccc(-c2nc(-c3cccnc3)no2)c1.Cc1cncc(-c2noc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C21H25N3O.C18H19N3O3.C16H15N3O.C15H13N3O3.C15H13N3O.C14H11N3O.C13H13N5O/c1-20(2,3)16-11-15(12-17(13-16)21(4,5)6)19-23-18(24-25-19)14-7-9-22-10-8-14;1-4-22-15-7-6-13(9-16(15)23-5-2)18-20-17(21-24-18)14-8-12(3)10-19-11-14;1-10-4-5-13(8-11(10)2)16-18-15(19-20-16)14-6-7-17-9-12(14)3;1-2-20-11-3-4-12(13(19)9-11)15-17-14(18-21-15)10-5-7-16-8-6-10;1-10-4-3-5-12(6-10)15-17-14(18-19-15)13-7-11(2)8-16-9-13;1-10-4-2-5-11(8-10)14-16-13(17-18-14)12-6-3-7-15-9-12;1-3-18-11(8-9(2)16-18)13-15-12(17-19-13)10-4-6-14-7-5-10/h7-13H,1-6H3;6-11H,4-5H2,1-3H3;4-9H,1-3H3;3-9,19H,2H2,1H3;3-9H,1-2H3;2-9H,1H3;4-8H,3H2,1-2H3
InChIKeyIGYPRDNVIUIPIJ-UHFFFAOYSA-N
MW1953.25 g/mol
LogP24.77
Rot. Bonds21

About 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 158696069) has the molecular formula C112H109N23O11 and a molecular weight of 1953.25 g/mol. Its IUPAC name is 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID158696069
Molecular FormulaC112H109N23O11
Molecular Weight1953.25 g/mol
Exact Mass1951.87
IUPAC Name5-(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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCC(C)(C)c1cc(-c2nc(-c3ccncc3)no2)cc(C(C)(C)C)c1.CCOc1ccc(-c2nc(-c3ccncc3)no2)c(O)c1.CCOc1ccc(-c2nc(-c3cncc(C)c3)no2)cc1OCC.CCn1nc(C)cc1-c1nc(-c2ccncc2)no1.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1cccc(-c2nc(-c3cccnc3)no2)c1.Cc1cncc(-c2noc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C21H25N3O.C18H19N3O3.C16H15N3O.C15H13N3O3.C15H13N3O.C14H11N3O.C13H13N5O/c1-20(2,3)16-11-15(12-17(13-16)21(4,5)6)19-23-18(24-25-19)14-7-9-22-10-8-14;1-4-22-15-7-6-13(9-16(15)23-5-2)18-20-17(21-24-18)14-8-12(3)10-19-11-14;1-10-4-5-13(8-11(10)2)16-18-15(19-20-16)14-6-7-17-9-12(14)3;1-2-20-11-3-4-12(13(19)9-11)15-17-14(18-21-15)10-5-7-16-8-6-10;1-10-4-3-5-12(6-10)15-17-14(18-19-15)13-7-11(2)8-16-9-13;1-10-4-2-5-11(8-10)14-16-13(17-18-14)12-6-3-7-15-9-12;1-3-18-11(8-9(2)16-18)13-15-12(17-19-13)10-4-6-14-7-5-10/h7-13H,1-6H3;6-11H,4-5H2,1-3H3;4-9H,1-3H3;3-9,19H,2H2,1H3;3-9H,1-2H3;2-9H,1H3;4-8H,3H2,1-2H3
InChIKeyIGYPRDNVIUIPIJ-UHFFFAOYSA-N
XLogP24.77
TPSA428.41 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds21
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001953.25
LogP ≤ 524.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 158696069) is 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is CC(C)(C)c1cc(-c2nc(-c3ccncc3)no2)cc(C(C)(C)C)c1.CCOc1ccc(-c2nc(-c3ccncc3)no2)c(O)c1.CCOc1ccc(-c2nc(-c3cncc(C)c3)no2)cc1OCC.CCn1nc(C)cc1-c1nc(-c2ccncc2)no1.Cc1ccc(-c2nc(-c3ccncc3C)no2)cc1C.Cc1cccc(-c2nc(-c3cccnc3)no2)c1.Cc1cncc(-c2noc(-c3cccc(C)c3)n2)c1.
What is the InChIKey of 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is IGYPRDNVIUIPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.C18H19N3O3.C16H15N3O.C15H13N3O3.C15H13N3O.C14H11N3O.C13H13N5O/c1-20(2,3)16-11-15(12-17(13-16)21(4,5)6)19-23-18(24-25-19)14-7-9-22-10-8-14;1-4-22-15-7-6-13(9-16(15)23-5-2)18-20-17(21-24-18)14-8-12(3)10-19-11-14;1-10-4-5-13(8-11(10)2)16-18-15(19-20-16)14-6-7-17-9-12(14)3;1-2-20-11-3-4-12(13(19)9-11)15-17-14(18-21-15)10-5-7-16-8-6-10;1-10-4-3-5-12(6-10)15-17-14(18-19-15)13-7-11(2)8-16-9-13;1-10-4-2-5-11(8-10)14-16-13(17-18-14)12-6-3-7-15-9-12;1-3-18-11(8-9(2)16-18)13-15-12(17-19-13)10-4-6-14-7-5-10/h7-13H,1-6H3;6-11H,4-5H2,1-3H3;4-9H,1-3H3;3-9,19H,2H2,1H3;3-9H,1-2H3;2-9H,1H3;4-8H,3H2,1-2H3.
What are the key properties of 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 1953.25 g/mol, XLogP of 24.77, 21 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158696069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).