2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole

C11H9F2NO2 — CID 126782582

IUPAC2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(COc2c(F)cccc2F)o1
InChIInChI=1S/C11H9F2NO2/c1-7-5-14-10(16-7)6-15-11-8(12)3-2-4-9(11)13/h2-5H,6H2,1H3
InChIKeyQTYAYTKSARBVTI-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.84
Rot. Bonds3

About 2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole

2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole (PubChem CID 126782582) has the molecular formula C11H9F2NO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole
PubChem CID126782582
Molecular FormulaC11H9F2NO2
Molecular Weight225.19 g/mol
Exact Mass225.06
IUPAC Name2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(COc2c(F)cccc2F)o1
InChIInChI=1S/C11H9F2NO2/c1-7-5-14-10(16-7)6-15-11-8(12)3-2-4-9(11)13/h2-5H,6H2,1H3
InChIKeyQTYAYTKSARBVTI-UHFFFAOYSA-N
XLogP2.84
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole (CID 126782582) is 2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole is Cc1cnc(COc2c(F)cccc2F)o1.
What is the InChIKey of 2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole?
The InChIKey is QTYAYTKSARBVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2/c1-7-5-14-10(16-7)6-15-11-8(12)3-2-4-9(11)13/h2-5H,6H2,1H3.
What are the key properties of 2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole?
2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole has a molecular weight of 225.19 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenoxy)methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 126782582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).