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

C6H11NO2 — CID 641518

IUPAC(4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1NC(=O)O[C@H]1C
InChIInChI=1S/C6H11NO2/c1-3-5-4(2)9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5-/m0/s1
InChIKeyYBSOFYRXTUQFMN-WHFBIAKZSA-N
MW129.16 g/mol
LogP0.89
Rot. Bonds1

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

(4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one (PubChem CID 641518) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one
PubChem CID641518
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1NC(=O)O[C@H]1C
InChIInChI=1S/C6H11NO2/c1-3-5-4(2)9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5-/m0/s1
InChIKeyYBSOFYRXTUQFMN-WHFBIAKZSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one (CID 641518) is (4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one is CC[C@@H]1NC(=O)O[C@H]1C.
What is the InChIKey of (4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is YBSOFYRXTUQFMN-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5-4(2)9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5-/m0/s1.
What are the key properties of (4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one?
(4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 641518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).