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

C12H20N2O2 — CID 46938041

IUPAC5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESCC(C)C[C@H]1C[C@@H](c2cc(=O)[nH]o2)CCN1
InChIInChI=1S/C12H20N2O2/c1-8(2)5-10-6-9(3-4-13-10)11-7-12(15)14-16-11/h7-10,13H,3-6H2,1-2H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyCFKOLKAQDSAASE-UWVGGRQHSA-N
MW224.30 g/mol
LogP1.85
Rot. Bonds3

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

5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 46938041) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
PubChem CID46938041
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESCC(C)C[C@H]1C[C@@H](c2cc(=O)[nH]o2)CCN1
InChIInChI=1S/C12H20N2O2/c1-8(2)5-10-6-9(3-4-13-10)11-7-12(15)14-16-11/h7-10,13H,3-6H2,1-2H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyCFKOLKAQDSAASE-UWVGGRQHSA-N
XLogP1.85
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2R,4S)-2-(cyclohexyloxymethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732687
5-[(2S,4S)-2-[(3,5-ditert-butylphenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732082
acetic acid;5-[(2R,4R)-2-(2,2-dimethylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 174645018
5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732779
5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46938043
5-[(2S,4R)-2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 87129192
5-[(2R,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732451
5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732459
5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732240
5-[(2S,4S)-2-(isoindol-2-ylmethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66978620
5-[(2S,4S)-2-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 56959875
acetic acid;5-[(2R,4S)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 175285078

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one (CID 46938041) is 5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one is CC(C)C[C@H]1C[C@@H](c2cc(=O)[nH]o2)CCN1.
What is the InChIKey of 5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is CFKOLKAQDSAASE-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)5-10-6-9(3-4-13-10)11-7-12(15)14-16-11/h7-10,13H,3-6H2,1-2H3,(H,14,15)/t9-,10-/m0/s1.
What are the key properties of 5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one?
5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 224.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 46938041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).