5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole

C11H14N2O — CID 583685

IUPAC5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCCC1N=C(c2ccc(C)cc2)NO1
InChIInChI=1S/C11H14N2O/c1-3-10-12-11(13-14-10)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3,(H,12,13)
InChIKeyXMEBPRGEIUFLFL-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.01
Rot. Bonds2

About 5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole

5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 583685) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID583685
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCCC1N=C(c2ccc(C)cc2)NO1
InChIInChI=1S/C11H14N2O/c1-3-10-12-11(13-14-10)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3,(H,12,13)
InChIKeyXMEBPRGEIUFLFL-UHFFFAOYSA-N
XLogP2.01
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (CID 583685) is 5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is CCC1N=C(c2ccc(C)cc2)NO1.
What is the InChIKey of 5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is XMEBPRGEIUFLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-10-12-11(13-14-10)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 190.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 583685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).