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

C15H17FN2O2 — CID 90806685

IUPAC2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1ccon1[C@H]1CCN[C@@H](Cc2ccccc2F)C1
InChIInChI=1S/C15H17FN2O2/c16-14-4-2-1-3-11(14)9-12-10-13(5-7-17-12)18-15(19)6-8-20-18/h1-4,6,8,12-13,17H,5,7,9-10H2/t12-,13-/m0/s1
InChIKeyKWGGVRGGRBYYCX-STQMWFEESA-N
MW276.31 g/mol
LogP2.12
Rot. Bonds3

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

2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 90806685) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
PubChem CID90806685
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1ccon1[C@H]1CCN[C@@H](Cc2ccccc2F)C1
InChIInChI=1S/C15H17FN2O2/c16-14-4-2-1-3-11(14)9-12-10-13(5-7-17-12)18-15(19)6-8-20-18/h1-4,6,8,12-13,17H,5,7,9-10H2/t12-,13-/m0/s1
InChIKeyKWGGVRGGRBYYCX-STQMWFEESA-N
XLogP2.12
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of 2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one (CID 90806685) is 2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for 2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one is O=c1ccon1[C@H]1CCN[C@@H](Cc2ccccc2F)C1.
What is the InChIKey of 2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is KWGGVRGGRBYYCX-STQMWFEESA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-14-4-2-1-3-11(14)9-12-10-13(5-7-17-12)18-15(19)6-8-20-18/h1-4,6,8,12-13,17H,5,7,9-10H2/t12-,13-/m0/s1.
What are the key properties of 2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 276.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-2-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 90806685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).