[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone

C14H17FN2O3 — CID 129188766

IUPAC[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone
SMILESC[C@@]1(C(=O)N2OCC[C@H]2c2ccc(F)nc2)CCOC1
InChIInChI=1S/C14H17FN2O3/c1-14(5-7-19-9-14)13(18)17-11(4-6-20-17)10-2-3-12(15)16-8-10/h2-3,8,11H,4-7,9H2,1H3/t11-,14+/m0/s1
InChIKeySOEKGZSJOCJJTR-SMDDNHRTSA-N
MW280.30 g/mol
LogP1.85
Rot. Bonds2

About [(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone

[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone (PubChem CID 129188766) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is [(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone
PubChem CID129188766
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone
SMILESC[C@@]1(C(=O)N2OCC[C@H]2c2ccc(F)nc2)CCOC1
InChIInChI=1S/C14H17FN2O3/c1-14(5-7-19-9-14)13(18)17-11(4-6-20-17)10-2-3-12(15)16-8-10/h2-3,8,11H,4-7,9H2,1H3/t11-,14+/m0/s1
InChIKeySOEKGZSJOCJJTR-SMDDNHRTSA-N
XLogP1.85
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone?
The IUPAC name of [(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone (CID 129188766) is [(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone.
What is the SMILES notation for [(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone?
The canonical SMILES for [(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone is C[C@@]1(C(=O)N2OCC[C@H]2c2ccc(F)nc2)CCOC1.
What is the InChIKey of [(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone?
The InChIKey is SOEKGZSJOCJJTR-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-14(5-7-19-9-14)13(18)17-11(4-6-20-17)10-2-3-12(15)16-8-10/h2-3,8,11H,4-7,9H2,1H3/t11-,14+/m0/s1.
What are the key properties of [(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone?
[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone has a molecular weight of 280.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-[(3R)-3-methyloxolan-3-yl]methanone is sourced from PubChem (CID 129188766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).