4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one

C15H13F3N2O3 — CID 118862331

IUPAC4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one
SMILESO=C1CC(O)CCN1c1cc(-c2cnco2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O3/c16-15(17,18)10-3-9(13-7-19-8-23-13)4-11(5-10)20-2-1-12(21)6-14(20)22/h3-5,7-8,12,21H,1-2,6H2
InChIKeyOTOOFLHPKYRNDQ-UHFFFAOYSA-N
MW326.27 g/mol
LogP2.85
Rot. Bonds2

About 4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one

4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one (PubChem CID 118862331) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one
PubChem CID118862331
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC Name4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one
SMILESO=C1CC(O)CCN1c1cc(-c2cnco2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O3/c16-15(17,18)10-3-9(13-7-19-8-23-13)4-11(5-10)20-2-1-12(21)6-14(20)22/h3-5,7-8,12,21H,1-2,6H2
InChIKeyOTOOFLHPKYRNDQ-UHFFFAOYSA-N
XLogP2.85
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one?
The IUPAC name of 4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one (CID 118862331) is 4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one?
The canonical SMILES for 4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one is O=C1CC(O)CCN1c1cc(-c2cnco2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one?
The InChIKey is OTOOFLHPKYRNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c16-15(17,18)10-3-9(13-7-19-8-23-13)4-11(5-10)20-2-1-12(21)6-14(20)22/h3-5,7-8,12,21H,1-2,6H2.
What are the key properties of 4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one?
4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one has a molecular weight of 326.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-2-one is sourced from PubChem (CID 118862331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).