5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole

C11H5F6NO2 — CID 173078125

IUPAC5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole
SMILESFC(F)(F)c1ccc(Oc2cnco2)cc1C(F)(F)F
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)7-2-1-6(3-8(7)11(15,16)17)20-9-4-18-5-19-9/h1-5H
InChIKeyKGRDYIZSQQCBCK-UHFFFAOYSA-N
MW297.15 g/mol
LogP4.50
Rot. Bonds2

About 5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole

5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole (PubChem CID 173078125) has the molecular formula C11H5F6NO2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole.

Molecular Properties

Compound Name5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole
PubChem CID173078125
Molecular FormulaC11H5F6NO2
Molecular Weight297.15 g/mol
Exact Mass297.02
IUPAC Name5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole
SMILESFC(F)(F)c1ccc(Oc2cnco2)cc1C(F)(F)F
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)7-2-1-6(3-8(7)11(15,16)17)20-9-4-18-5-19-9/h1-5H
InChIKeyKGRDYIZSQQCBCK-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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Frequently Asked Questions

What is the IUPAC name of 5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
The IUPAC name of 5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole (CID 173078125) is 5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole.
What is the SMILES notation for 5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
The canonical SMILES for 5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole is FC(F)(F)c1ccc(Oc2cnco2)cc1C(F)(F)F.
What is the InChIKey of 5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
The InChIKey is KGRDYIZSQQCBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6NO2/c12-10(13,14)7-2-1-6(3-8(7)11(15,16)17)20-9-4-18-5-19-9/h1-5H.
What are the key properties of 5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
5-[3,4-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 5-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole is sourced from PubChem (CID 173078125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).