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

C8H15NO3 — CID 115064056

IUPAC3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1(C)CCO
InChIInChI=1S/C8H15NO3/c1-3-9-7(11)12-6-8(9,2)4-5-10/h10H,3-6H2,1-2H3
InChIKeySWDRFIATHYYHLX-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.60
Rot. Bonds3

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

3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 115064056) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID115064056
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1(C)CCO
InChIInChI=1S/C8H15NO3/c1-3-9-7(11)12-6-8(9,2)4-5-10/h10H,3-6H2,1-2H3
InChIKeySWDRFIATHYYHLX-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one (CID 115064056) is 3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one is CCN1C(=O)OCC1(C)CCO.
What is the InChIKey of 3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is SWDRFIATHYYHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-9-7(11)12-6-8(9,2)4-5-10/h10H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one?
3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 173.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).