2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium

C16H12F3NO2 — CID 72714268

IUPAC2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium
SMILES[O-][N+]1=C(c2ccccc2)CC(c2ccccc2)(C(F)(F)F)O1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)15(13-9-5-2-6-10-13)11-14(20(21)22-15)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyFYKSVFJOUMETJV-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.78
Rot. Bonds2

About 2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium

2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium (PubChem CID 72714268) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium.

Molecular Properties

Compound Name2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium
PubChem CID72714268
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium
SMILES[O-][N+]1=C(c2ccccc2)CC(c2ccccc2)(C(F)(F)F)O1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)15(13-9-5-2-6-10-13)11-14(20(21)22-15)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyFYKSVFJOUMETJV-UHFFFAOYSA-N
XLogP3.78
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium
CID 72714272
(2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one
CID 102487045
(2R)-2-phenyl-2-(trifluoromethyl)morpholine
CID 95240865
(3S)-3-phenyl-3-(trifluoromethyl)-4H-isochromen-1-one
CID 134845951
(6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one
CID 743265
5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 69403978
(NE)-N-[[2-methyl-4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methylidene]hydroxylamine
CID 135958981
2,2-dichloro-1,1,3,3-tetramethyl-6-phenyl-6-(trifluoromethyl)-5-oxa-8-thiaspiro[3.4]octane
CID 162537751
benzene;tris(1,1'-biphenyl)
CID 162155747
2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane
CID 14874563
2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
CID 86257544
1,3-diphenyl-1-(trifluoromethyl)indene
CID 137346219

Frequently Asked Questions

What is the IUPAC name of 2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium?
The IUPAC name of 2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium (CID 72714268) is 2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium.
What is the SMILES notation for 2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium?
The canonical SMILES for 2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium is [O-][N+]1=C(c2ccccc2)CC(c2ccccc2)(C(F)(F)F)O1.
What is the InChIKey of 2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium?
The InChIKey is FYKSVFJOUMETJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-16(18,19)15(13-9-5-2-6-10-13)11-14(20(21)22-15)12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium?
2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium has a molecular weight of 307.27 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium is sourced from PubChem (CID 72714268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).