3-ethyl-4-methyl-5H-1,2,4-oxadiazole

C5H10N2O — CID 123739279

IUPAC3-ethyl-4-methyl-5H-1,2,4-oxadiazole
SMILESCCC1=NOCN1C
InChIInChI=1S/C5H10N2O/c1-3-5-6-8-4-7(5)2/h3-4H2,1-2H3
InChIKeyVQRZXXYMXFVPOF-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.63
Rot. Bonds1

About 3-ethyl-4-methyl-5H-1,2,4-oxadiazole

3-ethyl-4-methyl-5H-1,2,4-oxadiazole (PubChem CID 123739279) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-ethyl-4-methyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-4-methyl-5H-1,2,4-oxadiazole
PubChem CID123739279
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3-ethyl-4-methyl-5H-1,2,4-oxadiazole
SMILESCCC1=NOCN1C
InChIInChI=1S/C5H10N2O/c1-3-5-6-8-4-7(5)2/h3-4H2,1-2H3
InChIKeyVQRZXXYMXFVPOF-UHFFFAOYSA-N
XLogP0.63
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3,5,5-trimethyl-2-undecyl-4H-imidazole
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1-pentyl-2-undecyl-4,5-dihydroimidazole
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2-butyl-1-ethyl-4,5-dihydroimidazole
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2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole
CID 59021741
1-ethyl-2-propyl-5,6-dihydro-4H-pyrimidine
CID 66631509
3-butyl-5-methyl-2H-1,3-thiazole
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1-butyl-5-ethylpyrazole
CID 23006159
2-[2-[(E)-non-4-enyl]-4,5-dihydroimidazol-1-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-5H-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-4-methyl-5H-1,2,4-oxadiazole (CID 123739279) is 3-ethyl-4-methyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-4-methyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-4-methyl-5H-1,2,4-oxadiazole is CCC1=NOCN1C.
What is the InChIKey of 3-ethyl-4-methyl-5H-1,2,4-oxadiazole?
The InChIKey is VQRZXXYMXFVPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-5-6-8-4-7(5)2/h3-4H2,1-2H3.
What are the key properties of 3-ethyl-4-methyl-5H-1,2,4-oxadiazole?
3-ethyl-4-methyl-5H-1,2,4-oxadiazole has a molecular weight of 114.15 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 123739279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).