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

C10H6F3NO2 — CID 20771823

IUPAC2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-3-1-6(2-4-7)9-14-5-8(15)16-9/h1-4H,5H2
InChIKeyMSAXIJBOZAFLPI-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.01
Rot. Bonds1

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

2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one (PubChem CID 20771823) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one
PubChem CID20771823
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-3-1-6(2-4-7)9-14-5-8(15)16-9/h1-4H,5H2
InChIKeyMSAXIJBOZAFLPI-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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Related Compounds

4-Methyl-2-phenyl-2-oxazoline-5-one
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Azlactone
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CID 81929
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
4-(4'-Trifluoromethylbenzylidene)-2-phenyl-5(4h)-oxazolone
CID 710652
2-(4-Methylphenyl)oxazoline
CID 3770227
2-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 2725909
(z)-2-Phenyl-4-(4-(trifluoromethyl)benzylidene)oxazol-5 (4h)-one
CID 5396549
2-(3,4,5-Trifluorophenyl)-4,5-dihydrooxazole
CID 102025471
2-[3-Fluoro-4-(trifluoromethyl)phenyl]-4,5-dihydrooxazole
CID 132519402
4-(Hexafluoroisopropylidene)-2-phenyl-2-oxazolin-5-one
CID 12560295
2-(2,6-Difluorophenyl)-2-oxazoline
CID 11426186

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one (CID 20771823) is 2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one is O=C1CN=C(c2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one?
The InChIKey is MSAXIJBOZAFLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)7-3-1-6(2-4-7)9-14-5-8(15)16-9/h1-4H,5H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one?
2-[4-(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-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 20771823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).