2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole

C11H5F6NO2 — CID 90941126

IUPAC2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole
SMILESFC(F)(F)c1ccc(Oc2ncco2)c(C(F)(F)F)c1
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)6-1-2-8(7(5-6)11(15,16)17)20-9-18-3-4-19-9/h1-5H
InChIKeyWQNHIKGSXHMSBP-UHFFFAOYSA-N
MW297.15 g/mol
LogP4.50
Rot. Bonds2

About 2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole

2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole (PubChem CID 90941126) has the molecular formula C11H5F6NO2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole.

Molecular Properties

Compound Name2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole
PubChem CID90941126
Molecular FormulaC11H5F6NO2
Molecular Weight297.15 g/mol
Exact Mass297.02
IUPAC Name2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole
SMILESFC(F)(F)c1ccc(Oc2ncco2)c(C(F)(F)F)c1
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)6-1-2-8(7(5-6)11(15,16)17)20-9-18-3-4-19-9/h1-5H
InChIKeyWQNHIKGSXHMSBP-UHFFFAOYSA-N
XLogP4.50
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
The IUPAC name of 2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole (CID 90941126) is 2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole.
What is the SMILES notation for 2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
The canonical SMILES for 2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole is FC(F)(F)c1ccc(Oc2ncco2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
The InChIKey is WQNHIKGSXHMSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6NO2/c12-10(13,14)6-1-2-8(7(5-6)11(15,16)17)20-9-18-3-4-19-9/h1-5H.
What are the key properties of 2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole has a molecular weight of 297.15 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole is sourced from PubChem (CID 90941126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).