3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole

C18H19N3O — CID 141199041

IUPAC3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1cc(-c2nc(-c3cc(C)cc(C)c3)no2)cc(C)n1
InChIInChI=1S/C18H19N3O/c1-5-16-10-15(9-13(4)19-16)18-20-17(21-22-18)14-7-11(2)6-12(3)8-14/h6-10H,5H2,1-4H3
InChIKeyHSQAHZYJGLEQGR-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.29
Rot. Bonds3

About 3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole

3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole (PubChem CID 141199041) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
PubChem CID141199041
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1cc(-c2nc(-c3cc(C)cc(C)c3)no2)cc(C)n1
InChIInChI=1S/C18H19N3O/c1-5-16-10-15(9-13(4)19-16)18-20-17(21-22-18)14-7-11(2)6-12(3)8-14/h6-10H,5H2,1-4H3
InChIKeyHSQAHZYJGLEQGR-UHFFFAOYSA-N
XLogP4.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
CID 25197008
3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 174629444
(2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol
CID 175260512
3-[2-chloro-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
CID 68551053
(4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
CID 140546391
3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole
CID 174642083
N-[3-[2-ethyl-4-[3-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 25031864
1-amino-3-[2-ethyl-6-methyl-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
CID 59234765
5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole
CID 141200321
ethyl 5-(3,5-dimethylphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379679
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 107504626
5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 11242644

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole (CID 141199041) is 3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole is CCc1cc(-c2nc(-c3cc(C)cc(C)c3)no2)cc(C)n1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is HSQAHZYJGLEQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-5-16-10-15(9-13(4)19-16)18-20-17(21-22-18)14-7-11(2)6-12(3)8-14/h6-10H,5H2,1-4H3.
What are the key properties of 3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole?
3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 293.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 141199041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).