4-ethyl-2,5-dihydro-1,2-oxazole

C5H9NO — CID 90733394

IUPAC4-ethyl-2,5-dihydro-1,2-oxazole
SMILESCCC1=CNOC1
InChIInChI=1S/C5H9NO/c1-2-5-3-6-7-4-5/h3,6H,2,4H2,1H3
InChIKeyQDPVJCSAUHGQFE-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.82
Rot. Bonds1

About 4-ethyl-2,5-dihydro-1,2-oxazole

4-ethyl-2,5-dihydro-1,2-oxazole (PubChem CID 90733394) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 4-ethyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-ethyl-2,5-dihydro-1,2-oxazole
PubChem CID90733394
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name4-ethyl-2,5-dihydro-1,2-oxazole
SMILESCCC1=CNOC1
InChIInChI=1S/C5H9NO/c1-2-5-3-6-7-4-5/h3,6H,2,4H2,1H3
InChIKeyQDPVJCSAUHGQFE-UHFFFAOYSA-N
XLogP0.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 4-ethyl-2,5-dihydro-1,2-oxazole (CID 90733394) is 4-ethyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-ethyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-ethyl-2,5-dihydro-1,2-oxazole is CCC1=CNOC1.
What is the InChIKey of 4-ethyl-2,5-dihydro-1,2-oxazole?
The InChIKey is QDPVJCSAUHGQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-5-3-6-7-4-5/h3,6H,2,4H2,1H3.
What are the key properties of 4-ethyl-2,5-dihydro-1,2-oxazole?
4-ethyl-2,5-dihydro-1,2-oxazole has a molecular weight of 99.13 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90733394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).