5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one

C15H17FN2O2 — CID 46937701

IUPAC5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@H]2CCN[C@@H](Cc3ccc(F)cc3)C2)o[nH]1
InChIInChI=1S/C15H17FN2O2/c16-12-3-1-10(2-4-12)7-13-8-11(5-6-17-13)14-9-15(19)18-20-14/h1-4,9,11,13,17H,5-8H2,(H,18,19)/t11-,13-/m0/s1
InChIKeyZAXMUQMLLJYFEG-AAEUAGOBSA-N
MW276.31 g/mol
LogP2.19
Rot. Bonds3

About 5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one

5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 46937701) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
PubChem CID46937701
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@H]2CCN[C@@H](Cc3ccc(F)cc3)C2)o[nH]1
InChIInChI=1S/C15H17FN2O2/c16-12-3-1-10(2-4-12)7-13-8-11(5-6-17-13)14-9-15(19)18-20-14/h1-4,9,11,13,17H,5-8H2,(H,18,19)/t11-,13-/m0/s1
InChIKeyZAXMUQMLLJYFEG-AAEUAGOBSA-N
XLogP2.19
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-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 5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one (CID 46937701) is 5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one is O=c1cc([C@H]2CCN[C@@H](Cc3ccc(F)cc3)C2)o[nH]1.
What is the InChIKey of 5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is ZAXMUQMLLJYFEG-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-12-3-1-10(2-4-12)7-13-8-11(5-6-17-13)14-9-15(19)18-20-14/h1-4,9,11,13,17H,5-8H2,(H,18,19)/t11-,13-/m0/s1.
What are the key properties of 5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 276.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-2-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 46937701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).