5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one

C10H14F2N2O2 — CID 123648431

IUPAC5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one
SMILESCN1CC[C@H](c2cc(=O)[nH]o2)C[C@H]1C(F)F
InChIInChI=1S/C10H14F2N2O2/c1-14-3-2-6(4-7(14)10(11)12)8-5-9(15)13-16-8/h5-7,10H,2-4H2,1H3,(H,13,15)/t6-,7-/m0/s1
InChIKeyJLFQAMZARBVKHE-BQBZGAKWSA-N
MW232.23 g/mol
LogP1.41
Rot. Bonds2

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

5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 123648431) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one
PubChem CID123648431
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one
SMILESCN1CC[C@H](c2cc(=O)[nH]o2)C[C@H]1C(F)F
InChIInChI=1S/C10H14F2N2O2/c1-14-3-2-6(4-7(14)10(11)12)8-5-9(15)13-16-8/h5-7,10H,2-4H2,1H3,(H,13,15)/t6-,7-/m0/s1
InChIKeyJLFQAMZARBVKHE-BQBZGAKWSA-N
XLogP1.41
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one (CID 123648431) is 5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one is CN1CC[C@H](c2cc(=O)[nH]o2)C[C@H]1C(F)F.
What is the InChIKey of 5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is JLFQAMZARBVKHE-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-14-3-2-6(4-7(14)10(11)12)8-5-9(15)13-16-8/h5-7,10H,2-4H2,1H3,(H,13,15)/t6-,7-/m0/s1.
What are the key properties of 5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one?
5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 232.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 123648431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).