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

C16H20N2O2 — CID 66732451

IUPAC5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@@H]2CCN[C@H](CCc3ccccc3)C2)o[nH]1
InChIInChI=1S/C16H20N2O2/c19-16-11-15(20-18-16)13-8-9-17-14(10-13)7-6-12-4-2-1-3-5-12/h1-5,11,13-14,17H,6-10H2,(H,18,19)/t13-,14-/m1/s1
InChIKeyRUNJHXCAYKNYJM-ZIAGYGMSSA-N
MW272.35 g/mol
LogP2.44
Rot. Bonds4

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

5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 66732451) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
PubChem CID66732451
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@@H]2CCN[C@H](CCc3ccccc3)C2)o[nH]1
InChIInChI=1S/C16H20N2O2/c19-16-11-15(20-18-16)13-8-9-17-14(10-13)7-6-12-4-2-1-3-5-12/h1-5,11,13-14,17H,6-10H2,(H,18,19)/t13-,14-/m1/s1
InChIKeyRUNJHXCAYKNYJM-ZIAGYGMSSA-N
XLogP2.44
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46938043
5-[(2S,4S)-2-(isoindol-2-ylmethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66978620
5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46938041
5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732779
5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732240
5-[(2S,4R)-2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 87129192
acetic acid;5-[(2R,4S)-2-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 174657070
5-[(2S,4S)-2-[(3,5-ditert-butylphenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732082
5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732687
acetic acid;5-[2-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 174656837
5-[2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732386
5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732459

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one (CID 66732451) is 5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one is O=c1cc([C@@H]2CCN[C@H](CCc3ccccc3)C2)o[nH]1.
What is the InChIKey of 5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is RUNJHXCAYKNYJM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16-11-15(20-18-16)13-8-9-17-14(10-13)7-6-12-4-2-1-3-5-12/h1-5,11,13-14,17H,6-10H2,(H,18,19)/t13-,14-/m1/s1.
What are the key properties of 5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one?
5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 272.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 66732451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).