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

C10H9F2NO2 — CID 68824905

IUPAC2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole
SMILESCC1=CCN(Oc2cc(F)ccc2F)O1
InChIInChI=1S/C10H9F2NO2/c1-7-4-5-13(14-7)15-10-6-8(11)2-3-9(10)12/h2-4,6H,5H2,1H3
InChIKeyMSUFSUSJXBZBPU-UHFFFAOYSA-N
MW213.18 g/mol
LogP2.41
Rot. Bonds2

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

2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole (PubChem CID 68824905) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole
PubChem CID68824905
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole
SMILESCC1=CCN(Oc2cc(F)ccc2F)O1
InChIInChI=1S/C10H9F2NO2/c1-7-4-5-13(14-7)15-10-6-8(11)2-3-9(10)12/h2-4,6H,5H2,1H3
InChIKeyMSUFSUSJXBZBPU-UHFFFAOYSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenoxy)acetamide
CID 71726189
Phenoxy-ethyl amine
CID 12617693
Phenoxyaminopropane
CID 19907819
N-(2-fluorophenoxy)ethanamine
CID 22450577
1-(4-Fluorophenoxy)pyrrolidine
CID 53393778
2-(2,5-difluorophenoxy)-5-methyl-5H-1,2-oxazole
CID 68824904
5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole
CID 68824998
2-(2,5-difluorophenoxy)-5-ethyl-5H-1,2-oxazole
CID 68825338
2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole
CID 68825339
5-ethyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole
CID 68825542
5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole
CID 68826369
5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole
CID 68827065

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole?
The IUPAC name of 2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole (CID 68824905) is 2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole?
The canonical SMILES for 2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole is CC1=CCN(Oc2cc(F)ccc2F)O1.
What is the InChIKey of 2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole?
The InChIKey is MSUFSUSJXBZBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c1-7-4-5-13(14-7)15-10-6-8(11)2-3-9(10)12/h2-4,6H,5H2,1H3.
What are the key properties of 2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole?
2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole has a molecular weight of 213.18 g/mol, XLogP of 2.41, 2 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-methyl-3H-1,2-oxazole is sourced from PubChem (CID 68824905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).