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

C5H8FNO — CID 67989550

IUPAC3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOC(F)C1
InChIInChI=1S/C5H8FNO/c1-2-4-3-5(6)8-7-4/h5H,2-3H2,1H3
InChIKeyZRGXSDGVOVVRAK-UHFFFAOYSA-N
MW117.12 g/mol
LogP1.47
Rot. Bonds1

About 3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole

3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole (PubChem CID 67989550) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole
PubChem CID67989550
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOC(F)C1
InChIInChI=1S/C5H8FNO/c1-2-4-3-5(6)8-7-4/h5H,2-3H2,1H3
InChIKeyZRGXSDGVOVVRAK-UHFFFAOYSA-N
XLogP1.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole (CID 67989550) is 3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole is CCC1=NOC(F)C1.
What is the InChIKey of 3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole?
The InChIKey is ZRGXSDGVOVVRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c1-2-4-3-5(6)8-7-4/h5H,2-3H2,1H3.
What are the key properties of 3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole?
3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole has a molecular weight of 117.12 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 67989550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).