(5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate

C11H6F3NO4 — CID 172835630

IUPAC(5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate
SMILESO=C1OC(c2ccccc2)=NC1OC(=O)C(F)(F)F
InChIInChI=1S/C11H6F3NO4/c12-11(13,14)10(17)19-8-9(16)18-7(15-8)6-4-2-1-3-5-6/h1-5,8H
InChIKeyWCQLFBKKDQOVOY-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.42
Rot. Bonds2

About (5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate

(5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate (PubChem CID 172835630) has the molecular formula C11H6F3NO4 and a molecular weight of 273.17 g/mol. Its IUPAC name is (5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate
PubChem CID172835630
Molecular FormulaC11H6F3NO4
Molecular Weight273.17 g/mol
Exact Mass273.02
IUPAC Name(5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate
SMILESO=C1OC(c2ccccc2)=NC1OC(=O)C(F)(F)F
InChIInChI=1S/C11H6F3NO4/c12-11(13,14)10(17)19-8-9(16)18-7(15-8)6-4-2-1-3-5-6/h1-5,8H
InChIKeyWCQLFBKKDQOVOY-UHFFFAOYSA-N
XLogP1.42
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Azlactone
CID 65073
2-(m-Trifluoromethyl-phenyl)-2-oxazolin-4-one
CID 129653159
4-(Hexafluoroisopropyl)-2-phenyl-2-oxazolin-5-one
CID 129802752
4-Methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 132530331
2-(4-Fluorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole
CID 132530333
2-(2,4-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one
CID 139252950
2-(2,6-difluorophenyl)-4-methyl-4H-1,3-oxazol-5-one
CID 139259602
Hippuric acid, TFA-ME
CID 91749148
Ethyl 2-[[ethoxy-[4-(trifluoromethyl)phenyl]methylidene]amino]acetate
CID 13365865
2-(2-fluorophenyl)oxazol-5(4H)-one
CID 13626897
2-(4-fluorophenyl)-4H-1,3-oxazol-5-one
CID 13626898
2-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazol-5-one
CID 14881399

Frequently Asked Questions

What is the IUPAC name of (5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate (CID 172835630) is (5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate is O=C1OC(c2ccccc2)=NC1OC(=O)C(F)(F)F.
What is the InChIKey of (5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate?
The InChIKey is WCQLFBKKDQOVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO4/c12-11(13,14)10(17)19-8-9(16)18-7(15-8)6-4-2-1-3-5-6/h1-5,8H.
What are the key properties of (5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate?
(5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate has a molecular weight of 273.17 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-2-phenyl-4H-1,3-oxazol-4-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 172835630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).