1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one

C13H17FN2O2 — CID 129188882

IUPAC1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1OCC[C@H]1c1cncc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-13(2,3)12(17)16-11(4-5-18-16)9-6-10(14)8-15-7-9/h6-8,11H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyYZMCTJZXOKUTGY-NSHDSACASA-N
MW252.29 g/mol
LogP2.47
Rot. Bonds1

About 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one

1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 129188882) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID129188882
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1OCC[C@H]1c1cncc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-13(2,3)12(17)16-11(4-5-18-16)9-6-10(14)8-15-7-9/h6-8,11H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyYZMCTJZXOKUTGY-NSHDSACASA-N
XLogP2.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one (CID 129188882) is 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1OCC[C@H]1c1cncc(F)c1.
What is the InChIKey of 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is YZMCTJZXOKUTGY-NSHDSACASA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-13(2,3)12(17)16-11(4-5-18-16)9-6-10(14)8-15-7-9/h6-8,11H,4-5H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 252.29 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 129188882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).