2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one

C10H6F3NO2 — CID 14881399

IUPAC2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-3-1-2-6(4-7)9-14-5-8(15)16-9/h1-4H,5H2
InChIKeyZJUSEWVPYFRXLL-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.01
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one

2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one (PubChem CID 14881399) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one
PubChem CID14881399
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-3-1-2-6(4-7)9-14-5-8(15)16-9/h1-4H,5H2
InChIKeyZJUSEWVPYFRXLL-UHFFFAOYSA-N
XLogP2.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one (CID 14881399) is 2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one is O=C1CN=C(c2cccc(C(F)(F)F)c2)O1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one?
The InChIKey is ZJUSEWVPYFRXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)7-3-1-2-6(4-7)9-14-5-8(15)16-9/h1-4H,5H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one?
2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one has a molecular weight of 229.16 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 14881399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).