3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one

C11H5F6NO2 — CID 75359332

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]o1
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)6-1-5(8-4-9(19)20-18-8)2-7(3-6)11(15,16)17/h1-4,18H
InChIKeyGXLCVEJSVVOZAN-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.67
Rot. Bonds1

About 3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one

3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one (PubChem CID 75359332) has the molecular formula C11H5F6NO2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one
PubChem CID75359332
Molecular FormulaC11H5F6NO2
Molecular Weight297.15 g/mol
Exact Mass297.02
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]o1
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)6-1-5(8-4-9(19)20-18-8)2-7(3-6)11(15,16)17/h1-4,18H
InChIKeyGXLCVEJSVVOZAN-UHFFFAOYSA-N
XLogP3.67
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one (CID 75359332) is 3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one is O=c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]o1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one?
The InChIKey is GXLCVEJSVVOZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6NO2/c12-10(13,14)6-1-5(8-4-9(19)20-18-8)2-7(3-6)11(15,16)17/h1-4,18H.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one?
3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one has a molecular weight of 297.15 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one is sourced from PubChem (CID 75359332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).