3-ethyl-1,2-oxazole

C5H7NO — CID 12529300

IUPAC3-ethyl-1,2-oxazole
SMILESCCc1ccon1
InChIInChI=1S/C5H7NO/c1-2-5-3-4-7-6-5/h3-4H,2H2,1H3
InChIKeyLTUABJAYJRTHEH-UHFFFAOYSA-N
MW97.12 g/mol
LogP1.24
Rot. Bonds1

About 3-ethyl-1,2-oxazole

3-ethyl-1,2-oxazole (PubChem CID 12529300) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 3-ethyl-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-1,2-oxazole
PubChem CID12529300
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name3-ethyl-1,2-oxazole
SMILESCCc1ccon1
InChIInChI=1S/C5H7NO/c1-2-5-3-4-7-6-5/h3-4H,2H2,1H3
InChIKeyLTUABJAYJRTHEH-UHFFFAOYSA-N
XLogP1.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-oxazole?
The IUPAC name of 3-ethyl-1,2-oxazole (CID 12529300) is 3-ethyl-1,2-oxazole.
What is the SMILES notation for 3-ethyl-1,2-oxazole?
The canonical SMILES for 3-ethyl-1,2-oxazole is CCc1ccon1.
What is the InChIKey of 3-ethyl-1,2-oxazole?
The InChIKey is LTUABJAYJRTHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-2-5-3-4-7-6-5/h3-4H,2H2,1H3.
What are the key properties of 3-ethyl-1,2-oxazole?
3-ethyl-1,2-oxazole has a molecular weight of 97.12 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-oxazole is sourced from PubChem (CID 12529300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).