3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one

C13H13NO5 — CID 87130204

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1OC(C2CO2)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H13NO5/c15-13-14(6-11(19-13)12-7-18-12)8-1-2-9-10(5-8)17-4-3-16-9/h1-2,5,11-12H,3-4,6-7H2
InChIKeyDZTJVVXAKVQEBC-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.18
Rot. Bonds2

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one (PubChem CID 87130204) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one
PubChem CID87130204
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1OC(C2CO2)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H13NO5/c15-13-14(6-11(19-13)12-7-18-12)8-1-2-9-10(5-8)17-4-3-16-9/h1-2,5,11-12H,3-4,6-7H2
InChIKeyDZTJVVXAKVQEBC-UHFFFAOYSA-N
XLogP1.18
TPSA60.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one (CID 87130204) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one is O=C1OC(C2CO2)CN1c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is DZTJVVXAKVQEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c15-13-14(6-11(19-13)12-7-18-12)8-1-2-9-10(5-8)17-4-3-16-9/h1-2,5,11-12H,3-4,6-7H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 263.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(oxiran-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 87130204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).