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

C15H13F3N2O2 — CID 118862382

IUPAC1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one
SMILESO=C1CCN(c2cc(-c3cnco3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)11-5-10(14-8-19-9-22-14)6-12(7-11)20-3-1-13(21)2-4-20/h5-9H,1-4H2
InChIKeyMDDJPRFRMGANGJ-UHFFFAOYSA-N
MW310.27 g/mol
LogP3.53
Rot. Bonds2

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

1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one (PubChem CID 118862382) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.27 g/mol. Its IUPAC name is 1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one
PubChem CID118862382
Molecular FormulaC15H13F3N2O2
Molecular Weight310.27 g/mol
Exact Mass310.09
IUPAC Name1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one
SMILESO=C1CCN(c2cc(-c3cnco3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)11-5-10(14-8-19-9-22-14)6-12(7-11)20-3-1-13(21)2-4-20/h5-9H,1-4H2
InChIKeyMDDJPRFRMGANGJ-UHFFFAOYSA-N
XLogP3.53
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-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 1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one?
The IUPAC name of 1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one (CID 118862382) is 1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one?
The canonical SMILES for 1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one is O=C1CCN(c2cc(-c3cnco3)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one?
The InChIKey is MDDJPRFRMGANGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-15(17,18)11-5-10(14-8-19-9-22-14)6-12(7-11)20-3-1-13(21)2-4-20/h5-9H,1-4H2.
What are the key properties of 1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one?
1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one has a molecular weight of 310.27 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one is sourced from PubChem (CID 118862382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).