3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one

C10H9NO4 — CID 16766249

IUPAC3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc2c(c1)OCO2
InChIInChI=1S/C10H9NO4/c12-10-11(3-4-13-10)7-1-2-8-9(5-7)15-6-14-8/h1-2,5H,3-4,6H2
InChIKeyWADWFHPQSOZWMB-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.37
Rot. Bonds1

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

3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one (PubChem CID 16766249) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one
PubChem CID16766249
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc2c(c1)OCO2
InChIInChI=1S/C10H9NO4/c12-10-11(3-4-13-10)7-1-2-8-9(5-7)15-6-14-8/h1-2,5H,3-4,6H2
InChIKeyWADWFHPQSOZWMB-UHFFFAOYSA-N
XLogP1.37
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one (CID 16766249) is 3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one?
The InChIKey is WADWFHPQSOZWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c12-10-11(3-4-13-10)7-1-2-8-9(5-7)15-6-14-8/h1-2,5H,3-4,6H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one?
3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one has a molecular weight of 207.19 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 16766249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).