3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one

C17H15F3N2O3 — CID 101240199

IUPAC3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
SMILESCc1cc(N2CC(CC(O)c3ccc(C(F)(F)F)cc3)=CC2=O)no1
InChIInChI=1S/C17H15F3N2O3/c1-10-6-15(21-25-10)22-9-11(8-16(22)24)7-14(23)12-2-4-13(5-3-12)17(18,19)20/h2-6,8,14,23H,7,9H2,1H3
InChIKeyROISLVQWXFZZDM-UHFFFAOYSA-N
MW352.31 g/mol
LogP3.40
Rot. Bonds4

About 3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one

3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one (PubChem CID 101240199) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
PubChem CID101240199
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
SMILESCc1cc(N2CC(CC(O)c3ccc(C(F)(F)F)cc3)=CC2=O)no1
InChIInChI=1S/C17H15F3N2O3/c1-10-6-15(21-25-10)22-9-11(8-16(22)24)7-14(23)12-2-4-13(5-3-12)17(18,19)20/h2-6,8,14,23H,7,9H2,1H3
InChIKeyROISLVQWXFZZDM-UHFFFAOYSA-N
XLogP3.40
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one
CID 5389346
N1-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-N2-(isoxazol-3-yl)oxalamide
CID 56765497
5-methyl-3-[N-(S)-3-hydroxy-3-phenylpropylcarbamoylcarbonylamino]isoxazole
CID 96568341
5-(4-Fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 661688
5-(2-Fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 3471387
5-(4-fluorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one
CID 5927144
(4Z,5S)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 24867395
1-[2-(2-Fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 45814209
(5S)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 1524881
(5R)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 1524882
(5S)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 1524885
(5R)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 1524886

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?
The IUPAC name of 3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one (CID 101240199) is 3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?
The canonical SMILES for 3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one is Cc1cc(N2CC(CC(O)c3ccc(C(F)(F)F)cc3)=CC2=O)no1.
What is the InChIKey of 3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?
The InChIKey is ROISLVQWXFZZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-10-6-15(21-25-10)22-9-11(8-16(22)24)7-14(23)12-2-4-13(5-3-12)17(18,19)20/h2-6,8,14,23H,7,9H2,1H3.
What are the key properties of 3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?
3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one has a molecular weight of 352.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 101240199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).