(4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one

C8H8N2O2 — CID 67034016

IUPAC(4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cccnc2)CO1
InChIInChI=1S/C8H8N2O2/c11-8-10-7(5-12-8)6-2-1-3-9-4-6/h1-4,7H,5H2,(H,10,11)/t7-/m1/s1
InChIKeyNDRFSFDLHLOGSQ-SSDOTTSWSA-N
MW164.16 g/mol
LogP0.86
Rot. Bonds1

About (4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one

(4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one (PubChem CID 67034016) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is (4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one
PubChem CID67034016
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name(4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cccnc2)CO1
InChIInChI=1S/C8H8N2O2/c11-8-10-7(5-12-8)6-2-1-3-9-4-6/h1-4,7H,5H2,(H,10,11)/t7-/m1/s1
InChIKeyNDRFSFDLHLOGSQ-SSDOTTSWSA-N
XLogP0.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one (CID 67034016) is (4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one is O=C1N[C@@H](c2cccnc2)CO1.
What is the InChIKey of (4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is NDRFSFDLHLOGSQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8-10-7(5-12-8)6-2-1-3-9-4-6/h1-4,7H,5H2,(H,10,11)/t7-/m1/s1.
What are the key properties of (4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one?
(4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 164.16 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-pyridin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67034016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).