(4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one

C12H16N2O3 — CID 7327793

IUPAC(4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESCCN1C(=O)O[C@](C)(c2cccnc2)[C@@]1(C)O
InChIInChI=1S/C12H16N2O3/c1-4-14-10(15)17-11(2,12(14,3)16)9-6-5-7-13-8-9/h5-8,16H,4H2,1-3H3/t11-,12-/m1/s1
InChIKeyWBLYRMKZPZPXGG-VXGBXAGGSA-N
MW236.27 g/mol
LogP1.48
Rot. Bonds2

About (4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one

(4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one (PubChem CID 7327793) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
PubChem CID7327793
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESCCN1C(=O)O[C@](C)(c2cccnc2)[C@@]1(C)O
InChIInChI=1S/C12H16N2O3/c1-4-14-10(15)17-11(2,12(14,3)16)9-6-5-7-13-8-9/h5-8,16H,4H2,1-3H3/t11-,12-/m1/s1
InChIKeyWBLYRMKZPZPXGG-VXGBXAGGSA-N
XLogP1.48
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one (CID 7327793) is (4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one is CCN1C(=O)O[C@](C)(c2cccnc2)[C@@]1(C)O.
What is the InChIKey of (4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is WBLYRMKZPZPXGG-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-14-10(15)17-11(2,12(14,3)16)9-6-5-7-13-8-9/h5-8,16H,4H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
(4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 7327793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).