2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone

C11H6F3NO2 — CID 83389105

IUPAC2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone
SMILESO=C(c1ncc(-c2ccccc2)o1)C(F)(F)F
InChIInChI=1S/C11H6F3NO2/c12-11(13,14)9(16)10-15-6-8(17-10)7-4-2-1-3-5-7/h1-6H
InChIKeyQGLJNQDXLMCBRD-UHFFFAOYSA-N
MW241.17 g/mol
LogP3.09
Rot. Bonds2

About 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone

2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone (PubChem CID 83389105) has the molecular formula C11H6F3NO2 and a molecular weight of 241.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone
PubChem CID83389105
Molecular FormulaC11H6F3NO2
Molecular Weight241.17 g/mol
Exact Mass241.04
IUPAC Name2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone
SMILESO=C(c1ncc(-c2ccccc2)o1)C(F)(F)F
InChIInChI=1S/C11H6F3NO2/c12-11(13,14)9(16)10-15-6-8(17-10)7-4-2-1-3-5-7/h1-6H
InChIKeyQGLJNQDXLMCBRD-UHFFFAOYSA-N
XLogP3.09
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 5-phenyl-1,3-oxazole-2-carboxylate
CID 71755872
1-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 10943870
2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid
CID 134122364
5-(4-fluorophenyl)-1,3-oxazole-2-carboxylic acid
CID 18695170
5-phenyl-1,3-oxazole-2-sulfonic acid
CID 154638210
7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one
CID 11279040
(5-phenyl-1,3-oxazol-2-yl)urea
CID 150463239
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
5-(4-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049028
2-methoxy-5-phenyl-1,3-oxazole
CID 69332700
5-phenyl-1,3-oxazole-2-carbaldehyde
CID 13352176
2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 60616964

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone (CID 83389105) is 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone is O=C(c1ncc(-c2ccccc2)o1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone?
The InChIKey is QGLJNQDXLMCBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO2/c12-11(13,14)9(16)10-15-6-8(17-10)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone?
2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone has a molecular weight of 241.17 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone is sourced from PubChem (CID 83389105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).