5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole

C11H12FNO2 — CID 68827907

IUPAC5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole
SMILESCCC1C=CN(Oc2cccc(F)c2)O1
InChIInChI=1S/C11H12FNO2/c1-2-10-6-7-13(14-10)15-11-5-3-4-9(12)8-11/h3-8,10H,2H2,1H3
InChIKeyAUKLSZPZQRVBLO-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.66
Rot. Bonds3

About 5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole

5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole (PubChem CID 68827907) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole
PubChem CID68827907
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole
SMILESCCC1C=CN(Oc2cccc(F)c2)O1
InChIInChI=1S/C11H12FNO2/c1-2-10-6-7-13(14-10)15-11-5-3-4-9(12)8-11/h3-8,10H,2H2,1H3
InChIKeyAUKLSZPZQRVBLO-UHFFFAOYSA-N
XLogP2.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole?
The IUPAC name of 5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole (CID 68827907) is 5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole.
What is the SMILES notation for 5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole?
The canonical SMILES for 5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole is CCC1C=CN(Oc2cccc(F)c2)O1.
What is the InChIKey of 5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole?
The InChIKey is AUKLSZPZQRVBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-2-10-6-7-13(14-10)15-11-5-3-4-9(12)8-11/h3-8,10H,2H2,1H3.
What are the key properties of 5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole?
5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole has a molecular weight of 209.22 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole is sourced from PubChem (CID 68827907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).