1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one

C14H19FN2O2 — CID 129188907

IUPAC1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCc1ncc([C@@H]2CCON2C(=O)C(C)(C)C)cc1F
InChIInChI=1S/C14H19FN2O2/c1-9-11(15)7-10(8-16-9)12-5-6-19-17(12)13(18)14(2,3)4/h7-8,12H,5-6H2,1-4H3/t12-/m0/s1
InChIKeyMXJXYSWXWLIEMZ-LBPRGKRZSA-N
MW266.32 g/mol
LogP2.78
Rot. Bonds1

About 1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one

1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 129188907) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID129188907
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCc1ncc([C@@H]2CCON2C(=O)C(C)(C)C)cc1F
InChIInChI=1S/C14H19FN2O2/c1-9-11(15)7-10(8-16-9)12-5-6-19-17(12)13(18)14(2,3)4/h7-8,12H,5-6H2,1-4H3/t12-/m0/s1
InChIKeyMXJXYSWXWLIEMZ-LBPRGKRZSA-N
XLogP2.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one (CID 129188907) is 1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one is Cc1ncc([C@@H]2CCON2C(=O)C(C)(C)C)cc1F.
What is the InChIKey of 1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is MXJXYSWXWLIEMZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-11(15)7-10(8-16-9)12-5-6-19-17(12)13(18)14(2,3)4/h7-8,12H,5-6H2,1-4H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
1-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 266.32 g/mol, XLogP of 2.78, 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-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 129188907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).