4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one

C8H15NO4 — CID 5133683

IUPAC4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(CCO)C1(C)O
InChIInChI=1S/C8H15NO4/c1-7(2)8(3,12)9(4-5-10)6(11)13-7/h10,12H,4-5H2,1-3H3
InChIKeyIZNZNNWTHZKELZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.08
Rot. Bonds2

About 4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one

4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one (PubChem CID 5133683) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
PubChem CID5133683
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(CCO)C1(C)O
InChIInChI=1S/C8H15NO4/c1-7(2)8(3,12)9(4-5-10)6(11)13-7/h10,12H,4-5H2,1-3H3
InChIKeyIZNZNNWTHZKELZ-UHFFFAOYSA-N
XLogP-0.08
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one (CID 5133683) is 4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(CCO)C1(C)O.
What is the InChIKey of 4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The InChIKey is IZNZNNWTHZKELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-7(2)8(3,12)9(4-5-10)6(11)13-7/h10,12H,4-5H2,1-3H3.
What are the key properties of 4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one has a molecular weight of 189.21 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 5133683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).