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

C9H12F2N2O2 — CID 66732459

IUPAC5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@@H]2CCN[C@@H](C(F)F)C2)o[nH]1
InChIInChI=1S/C9H12F2N2O2/c10-9(11)6-3-5(1-2-12-6)7-4-8(14)13-15-7/h4-6,9,12H,1-3H2,(H,13,14)/t5-,6-/m1/s1
InChIKeyRVCBZIZSSUZOBH-PHDIDXHHSA-N
MW218.20 g/mol
LogP1.07
Rot. Bonds2

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

5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 66732459) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is 5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one
PubChem CID66732459
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@@H]2CCN[C@@H](C(F)F)C2)o[nH]1
InChIInChI=1S/C9H12F2N2O2/c10-9(11)6-3-5(1-2-12-6)7-4-8(14)13-15-7/h4-6,9,12H,1-3H2,(H,13,14)/t5-,6-/m1/s1
InChIKeyRVCBZIZSSUZOBH-PHDIDXHHSA-N
XLogP1.07
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46938041
5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one
CID 123648431
5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732779
5-(azetidin-2-yl)-1,2-oxazol-3-one
CID 143295423
5-[(2R,4R)-2-(4-chlorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732573
5-cyclopentyl-1,2-oxazol-3-one
CID 45099074
5-[(2R,4R)-2-(4-chloro-3-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732362
5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732240
(2R,4S)-2-(difluoromethyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid
CID 141283133
5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46938043
acetic acid;5-[(2R,4S)-2-cyclohexylpiperidin-4-yl]-1,2-oxazol-3-one
CID 174645063
5-[(2S,4R)-2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 87129192

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one (CID 66732459) is 5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one is O=c1cc([C@@H]2CCN[C@@H](C(F)F)C2)o[nH]1.
What is the InChIKey of 5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is RVCBZIZSSUZOBH-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c10-9(11)6-3-5(1-2-12-6)7-4-8(14)13-15-7/h4-6,9,12H,1-3H2,(H,13,14)/t5-,6-/m1/s1.
What are the key properties of 5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one?
5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 218.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 66732459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).