5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole

C11H5F6NO2 — CID 91528293

IUPAC5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(Oc2cnco2)c1
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)6-1-2-7(11(15,16)17)8(3-6)20-9-4-18-5-19-9/h1-5H
InChIKeyTUYWTNAUFDQLKZ-UHFFFAOYSA-N
MW297.15 g/mol
LogP4.50
Rot. Bonds2

About 5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole

5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole (PubChem CID 91528293) has the molecular formula C11H5F6NO2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole.

Molecular Properties

Compound Name5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole
PubChem CID91528293
Molecular FormulaC11H5F6NO2
Molecular Weight297.15 g/mol
Exact Mass297.02
IUPAC Name5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(Oc2cnco2)c1
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)6-1-2-7(11(15,16)17)8(3-6)20-9-4-18-5-19-9/h1-5H
InChIKeyTUYWTNAUFDQLKZ-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

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Related Compounds

2-[2,4-Bis(trifluoromethyl)phenoxy]-1,3-oxazole
CID 90941126
2-[3,4-Bis(trifluoromethyl)phenoxy]-1,3-oxazole
CID 91052726
2-[2,5-Bis(trifluoromethyl)phenoxy]-1,3-oxazole
CID 91081796
5-[2,6-Bis(trifluoromethyl)phenoxy]-1,3-oxazole
CID 91158828
2-[3,5-Bis(trifluoromethyl)phenoxy]-1,3-oxazole
CID 91251833
2-[2,3-Bis(trifluoromethyl)phenoxy]-1,3-oxazole
CID 91261265
2-[2,6-Bis(trifluoromethyl)phenoxy]-1,3-oxazole
CID 91514849
5-[2,3-Bis(trifluoromethyl)phenoxy]-1,3-oxazole
CID 91806517
5-(2-Fluorophenoxy)-1,3-oxazole
CID 141435954
5-[2,4-Bis(trifluoromethyl)phenoxy]-1,3-oxazole
CID 173078117
5-[3,4-Bis(trifluoromethyl)phenoxy]-1,3-oxazole
CID 173078125
4-[2,5-Bis(trifluoromethyl)phenoxy]-1,3-oxazole
CID 173078209

Frequently Asked Questions

What is the IUPAC name of 5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
The IUPAC name of 5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole (CID 91528293) is 5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole.
What is the SMILES notation for 5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
The canonical SMILES for 5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole is FC(F)(F)c1ccc(C(F)(F)F)c(Oc2cnco2)c1.
What is the InChIKey of 5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
The InChIKey is TUYWTNAUFDQLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6NO2/c12-10(13,14)6-1-2-7(11(15,16)17)8(3-6)20-9-4-18-5-19-9/h1-5H.
What are the key properties of 5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
5-[2,5-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 5-[2,5-bis(trifluoromethyl)phenoxy]-1,3-oxazole is sourced from PubChem (CID 91528293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).