(4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one

C9H16N2O4 — CID 90284378

IUPAC(4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1COC(=O)N1.C[C@@H]1CNC(=O)O1
InChIInChI=1S/C5H9NO2.C4H7NO2/c1-2-4-3-8-5(7)6-4;1-3-2-5-4(6)7-3/h4H,2-3H2,1H3,(H,6,7);3H,2H2,1H3,(H,5,6)/t4-;3-/m11/s1
InChIKeyWUYLCURWBSJFAO-ZOANPFLCSA-N
MW216.24 g/mol
LogP0.62
Rot. Bonds1

About (4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one

(4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one (PubChem CID 90284378) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one
PubChem CID90284378
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1COC(=O)N1.C[C@@H]1CNC(=O)O1
InChIInChI=1S/C5H9NO2.C4H7NO2/c1-2-4-3-8-5(7)6-4;1-3-2-5-4(6)7-3/h4H,2-3H2,1H3,(H,6,7);3H,2H2,1H3,(H,5,6)/t4-;3-/m11/s1
InChIKeyWUYLCURWBSJFAO-ZOANPFLCSA-N
XLogP0.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one (CID 90284378) is (4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one is CC[C@@H]1COC(=O)N1.C[C@@H]1CNC(=O)O1.
What is the InChIKey of (4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is WUYLCURWBSJFAO-ZOANPFLCSA-N. The full InChI is InChI=1S/C5H9NO2.C4H7NO2/c1-2-4-3-8-5(7)6-4;1-3-2-5-4(6)7-3/h4H,2-3H2,1H3,(H,6,7);3H,2H2,1H3,(H,5,6)/t4-;3-/m11/s1.
What are the key properties of (4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one?
(4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 216.24 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-1,3-oxazolidin-2-one;(5R)-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90284378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).