3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one

C17H10F3NO3 — CID 57240150

IUPAC3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one
SMILESO=C1OC2(C=C(c3cccc(C(F)(F)F)c3)NO2)c2ccccc21
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)11-5-3-4-10(8-11)14-9-16(24-21-14)13-7-2-1-6-12(13)15(22)23-16/h1-9,21H
InChIKeyMVMQGYJZNRWFDK-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.60
Rot. Bonds1

About 3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one

3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one (PubChem CID 57240150) has the molecular formula C17H10F3NO3 and a molecular weight of 333.27 g/mol. Its IUPAC name is 3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one.

Molecular Properties

Compound Name3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one
PubChem CID57240150
Molecular FormulaC17H10F3NO3
Molecular Weight333.27 g/mol
Exact Mass333.06
IUPAC Name3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one
SMILESO=C1OC2(C=C(c3cccc(C(F)(F)F)c3)NO2)c2ccccc21
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)11-5-3-4-10(8-11)14-9-16(24-21-14)13-7-2-1-6-12(13)15(22)23-16/h1-9,21H
InChIKeyMVMQGYJZNRWFDK-UHFFFAOYSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one?
The IUPAC name of 3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one (CID 57240150) is 3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one.
What is the SMILES notation for 3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one?
The canonical SMILES for 3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one is O=C1OC2(C=C(c3cccc(C(F)(F)F)c3)NO2)c2ccccc21.
What is the InChIKey of 3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one?
The InChIKey is MVMQGYJZNRWFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO3/c18-17(19,20)11-5-3-4-10(8-11)14-9-16(24-21-14)13-7-2-1-6-12(13)15(22)23-16/h1-9,21H.
What are the key properties of 3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one?
3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one has a molecular weight of 333.27 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[3-(trifluoromethyl)phenyl]spiro[2-benzofuran-3,5'-2H-1,2-oxazole]-1-one is sourced from PubChem (CID 57240150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).