5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole

C20H23N3O — CID 141200321

IUPAC5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole
SMILESCCc1cc(C)cc(-c2noc(-c3cnc(CC)c(CC)c3)n2)c1
InChIInChI=1S/C20H23N3O/c1-5-14-8-13(4)9-16(10-14)19-22-20(24-23-19)17-11-15(6-2)18(7-3)21-12-17/h8-12H,5-7H2,1-4H3
InChIKeyXKRXSQKOWAQQKB-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.79
Rot. Bonds5

About 5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole

5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole (PubChem CID 141200321) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole
PubChem CID141200321
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole
SMILESCCc1cc(C)cc(-c2noc(-c3cnc(CC)c(CC)c3)n2)c1
InChIInChI=1S/C20H23N3O/c1-5-14-8-13(4)9-16(10-14)19-22-20(24-23-19)17-11-15(6-2)18(7-3)21-12-17/h8-12H,5-7H2,1-4H3
InChIKeyXKRXSQKOWAQQKB-UHFFFAOYSA-N
XLogP4.79
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol
CID 59392484
(2S)-1-amino-3-[2-ethyl-4-[5-[6-ethyl-5-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propan-2-ol
CID 68765562
3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
CID 68762745
3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 141199041
(2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
CID 68766061
2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol
CID 135979555
(3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol
CID 164877338
3-[2-ethyl-6-methyl-4-[5-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
CID 58124772
(2S)-3-[2-ethyl-6-methyl-4-[5-[6-methyl-5-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propane-1,2-diol
CID 68763893
N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 59392516
5-[(4-ethylphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8895405
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525251

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole (CID 141200321) is 5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole is CCc1cc(C)cc(-c2noc(-c3cnc(CC)c(CC)c3)n2)c1.
What is the InChIKey of 5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is XKRXSQKOWAQQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-5-14-8-13(4)9-16(10-14)19-22-20(24-23-19)17-11-15(6-2)18(7-3)21-12-17/h8-12H,5-7H2,1-4H3.
What are the key properties of 5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole?
5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 321.42 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 141200321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).