5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one

C8H12N2O6 — CID 166063571

IUPAC5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1N1CC(C(O)CO)OC1=O
InChIInChI=1S/C8H12N2O6/c11-4-5(12)6-3-10(8(14)16-6)9-1-2-15-7(9)13/h5-6,11-12H,1-4H2
InChIKeyANMIGPXRJWSLAH-UHFFFAOYSA-N
MW232.19 g/mol
LogP-1.47
Rot. Bonds3

About 5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one

5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one (PubChem CID 166063571) has the molecular formula C8H12N2O6 and a molecular weight of 232.19 g/mol. Its IUPAC name is 5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one
PubChem CID166063571
Molecular FormulaC8H12N2O6
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1N1CC(C(O)CO)OC1=O
InChIInChI=1S/C8H12N2O6/c11-4-5(12)6-3-10(8(14)16-6)9-1-2-15-7(9)13/h5-6,11-12H,1-4H2
InChIKeyANMIGPXRJWSLAH-UHFFFAOYSA-N
XLogP-1.47
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one (CID 166063571) is 5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one is O=C1OCCN1N1CC(C(O)CO)OC1=O.
What is the InChIKey of 5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one?
The InChIKey is ANMIGPXRJWSLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O6/c11-4-5(12)6-3-10(8(14)16-6)9-1-2-15-7(9)13/h5-6,11-12H,1-4H2.
What are the key properties of 5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one?
5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one has a molecular weight of 232.19 g/mol, XLogP of -1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 166063571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).