2-ethyl-3H-1,2-oxazole

C5H9NO — CID 68839688

IUPAC2-ethyl-3H-1,2-oxazole
SMILESCCN1CC=CO1
InChIInChI=1S/C5H9NO/c1-2-6-4-3-5-7-6/h3,5H,2,4H2,1H3
InChIKeyHFUPPUXYGWBEKO-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.77
Rot. Bonds1

About 2-ethyl-3H-1,2-oxazole

2-ethyl-3H-1,2-oxazole (PubChem CID 68839688) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-ethyl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-ethyl-3H-1,2-oxazole
PubChem CID68839688
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-ethyl-3H-1,2-oxazole
SMILESCCN1CC=CO1
InChIInChI=1S/C5H9NO/c1-2-6-4-3-5-7-6/h3,5H,2,4H2,1H3
InChIKeyHFUPPUXYGWBEKO-UHFFFAOYSA-N
XLogP0.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3H-1,2-oxazole?
The IUPAC name of 2-ethyl-3H-1,2-oxazole (CID 68839688) is 2-ethyl-3H-1,2-oxazole.
What is the SMILES notation for 2-ethyl-3H-1,2-oxazole?
The canonical SMILES for 2-ethyl-3H-1,2-oxazole is CCN1CC=CO1.
What is the InChIKey of 2-ethyl-3H-1,2-oxazole?
The InChIKey is HFUPPUXYGWBEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-6-4-3-5-7-6/h3,5H,2,4H2,1H3.
What are the key properties of 2-ethyl-3H-1,2-oxazole?
2-ethyl-3H-1,2-oxazole has a molecular weight of 99.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3H-1,2-oxazole is sourced from PubChem (CID 68839688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).