3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole

C20H24N4O — CID 25197008

IUPAC3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
SMILESCCc1cc(-c2noc(-c3cc(C)nc(CC(C)C)c3)n2)cc(C)n1
InChIInChI=1S/C20H24N4O/c1-6-17-10-15(8-13(4)21-17)19-23-20(25-24-19)16-9-14(5)22-18(11-16)7-12(2)3/h8-12H,6-7H2,1-5H3
InChIKeyWVYRAQWHFQYZNX-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.57
Rot. Bonds5

About 3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole

3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole (PubChem CID 25197008) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
PubChem CID25197008
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
SMILESCCc1cc(-c2noc(-c3cc(C)nc(CC(C)C)c3)n2)cc(C)n1
InChIInChI=1S/C20H24N4O/c1-6-17-10-15(8-13(4)21-17)19-23-20(25-24-19)16-9-14(5)22-18(11-16)7-12(2)3/h8-12H,6-7H2,1-5H3
InChIKeyWVYRAQWHFQYZNX-UHFFFAOYSA-N
XLogP4.57
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 141199041
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
(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
2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole
CID 58418046
3-[2-methyl-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propane-1,2-diol
CID 68555668
3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 174629444
2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole
CID 58418094
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
2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 107504381
(2R)-3-[2-ethyl-4-[5-[2-methoxy-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
CID 68555501
N-[(2S)-3-[2-chloro-6-methoxy-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 25030965
(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

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole (CID 25197008) is 3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole is CCc1cc(-c2noc(-c3cc(C)nc(CC(C)C)c3)n2)cc(C)n1.
What is the InChIKey of 3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is WVYRAQWHFQYZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-6-17-10-15(8-13(4)21-17)19-23-20(25-24-19)16-9-14(5)22-18(11-16)7-12(2)3/h8-12H,6-7H2,1-5H3.
What are the key properties of 3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole?
3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 336.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 25197008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).