5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium

C20H14F3NO2 — CID 72714272

IUPAC5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium
SMILES[O-][N+]1=C(c2ccccc2)CC(c2ccc3ccccc3c2)(C(F)(F)F)O1
InChIInChI=1S/C20H14F3NO2/c21-20(22,23)19(17-11-10-14-6-4-5-9-16(14)12-17)13-18(24(25)26-19)15-7-2-1-3-8-15/h1-12H,13H2
InChIKeyVIHIFTJTJBGDIS-UHFFFAOYSA-N
MW357.33 g/mol
LogP4.93
Rot. Bonds2

About 5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium

5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium (PubChem CID 72714272) has the molecular formula C20H14F3NO2 and a molecular weight of 357.33 g/mol. Its IUPAC name is 5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium.

Molecular Properties

Compound Name5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium
PubChem CID72714272
Molecular FormulaC20H14F3NO2
Molecular Weight357.33 g/mol
Exact Mass357.10
IUPAC Name5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium
SMILES[O-][N+]1=C(c2ccccc2)CC(c2ccc3ccccc3c2)(C(F)(F)F)O1
InChIInChI=1S/C20H14F3NO2/c21-20(22,23)19(17-11-10-14-6-4-5-9-16(14)12-17)13-18(24(25)26-19)15-7-2-1-3-8-15/h1-12H,13H2
InChIKeyVIHIFTJTJBGDIS-UHFFFAOYSA-N
XLogP4.93
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium
CID 72714268
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CID 118481904
3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 2742980
(5R)-3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 690721
9,9-dinaphthalen-2-yl-2,7-bis(4-phenylphenyl)fluorene
CID 144772685
2-[(1R)-2-methylidene-1-phenylcyclopropyl]naphthalene
CID 102141130
1-naphthalen-2-ylcyclopropan-1-amine
CID 12982597
2-(1-methylcyclopropyl)naphthalene
CID 10511657
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
CID 172725087
CID 172725087
benzo[f]azulene
CID 13065869
2-naphthalen-2-yloxy-2-(trifluoromethyl)oxirane
CID 14140924

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium?
The IUPAC name of 5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium (CID 72714272) is 5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium.
What is the SMILES notation for 5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium?
The canonical SMILES for 5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium is [O-][N+]1=C(c2ccccc2)CC(c2ccc3ccccc3c2)(C(F)(F)F)O1.
What is the InChIKey of 5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium?
The InChIKey is VIHIFTJTJBGDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO2/c21-20(22,23)19(17-11-10-14-6-4-5-9-16(14)12-17)13-18(24(25)26-19)15-7-2-1-3-8-15/h1-12H,13H2.
What are the key properties of 5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium?
5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium has a molecular weight of 357.33 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-2-oxido-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium is sourced from PubChem (CID 72714272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).