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

C11H11F2NO2 — CID 68825339

IUPAC2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole
SMILESCCC1=CCN(Oc2cc(F)ccc2F)O1
InChIInChI=1S/C11H11F2NO2/c1-2-9-5-6-14(15-9)16-11-7-8(12)3-4-10(11)13/h3-5,7H,2,6H2,1H3
InChIKeyBEGLKAPRRHJVLN-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.80
Rot. Bonds3

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

2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole (PubChem CID 68825339) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole
PubChem CID68825339
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole
SMILESCCC1=CCN(Oc2cc(F)ccc2F)O1
InChIInChI=1S/C11H11F2NO2/c1-2-9-5-6-14(15-9)16-11-7-8(12)3-4-10(11)13/h3-5,7H,2,6H2,1H3
InChIKeyBEGLKAPRRHJVLN-UHFFFAOYSA-N
XLogP2.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole?
The IUPAC name of 2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole (CID 68825339) is 2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole?
The canonical SMILES for 2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole is CCC1=CCN(Oc2cc(F)ccc2F)O1.
What is the InChIKey of 2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole?
The InChIKey is BEGLKAPRRHJVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-2-9-5-6-14(15-9)16-11-7-8(12)3-4-10(11)13/h3-5,7H,2,6H2,1H3.
What are the key properties of 2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole?
2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole has a molecular weight of 227.21 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole is sourced from PubChem (CID 68825339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).