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

C11H11F2NO2 — CID 68825338

IUPAC2-(2,5-difluorophenoxy)-5-ethyl-5H-1,2-oxazole
SMILESCCC1C=CN(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/h3-7,9H,2H2,1H3
InChIKeyZEEHVKSRGLFUAG-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.80
Rot. Bonds3

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

2-(2,5-difluorophenoxy)-5-ethyl-5H-1,2-oxazole (PubChem CID 68825338) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-5-ethyl-5H-1,2-oxazole.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-5-ethyl-5H-1,2-oxazole
PubChem CID68825338
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name2-(2,5-difluorophenoxy)-5-ethyl-5H-1,2-oxazole
SMILESCCC1C=CN(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/h3-7,9H,2H2,1H3
InChIKeyZEEHVKSRGLFUAG-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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Related Compounds

2-(2,5-difluorophenoxy)-5-methyl-5H-1,2-oxazole
CID 68824904
2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole
CID 68824905
5-methyl-2-[4-(trifluoromethoxy)phenoxy]-5H-1,2-oxazole
CID 68824996
2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole
CID 68825339
5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-5H-1,2-oxazole
CID 68825540
5-methyl-2-[4-(trifluoromethyl)phenoxy]-5H-1,2-oxazole
CID 68826368
5-ethyl-2-[4-(trifluoromethyl)phenoxy]-5H-1,2-oxazole
CID 68827064
5-ethyl-2-(3-fluorophenoxy)-5H-1,2-oxazole
CID 68827907
5-ethyl-2-(3-fluorophenoxy)-3H-1,2-oxazole
CID 68827910
2-(3-fluorophenoxy)-5-methyl-5H-1,2-oxazole
CID 91163048
N-(3,4-difluorophenoxy)-N-methylmethanamine
CID 123222016
N-methoxy-N-phenoxyethanamine
CID 17818557

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-5-ethyl-5H-1,2-oxazole?
The IUPAC name of 2-(2,5-difluorophenoxy)-5-ethyl-5H-1,2-oxazole (CID 68825338) is 2-(2,5-difluorophenoxy)-5-ethyl-5H-1,2-oxazole.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-5-ethyl-5H-1,2-oxazole?
The canonical SMILES for 2-(2,5-difluorophenoxy)-5-ethyl-5H-1,2-oxazole is CCC1C=CN(Oc2cc(F)ccc2F)O1.
What is the InChIKey of 2-(2,5-difluorophenoxy)-5-ethyl-5H-1,2-oxazole?
The InChIKey is ZEEHVKSRGLFUAG-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/h3-7,9H,2H2,1H3.
What are the key properties of 2-(2,5-difluorophenoxy)-5-ethyl-5H-1,2-oxazole?
2-(2,5-difluorophenoxy)-5-ethyl-5H-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-5H-1,2-oxazole is sourced from PubChem (CID 68825338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).