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

C12H14N2O4 — CID 82382851

IUPAC5-(2-aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one
SMILESNCCC1CN(c2ccc3c(c2)OCO3)C(=O)O1
InChIInChI=1S/C12H14N2O4/c13-4-3-9-6-14(12(15)18-9)8-1-2-10-11(5-8)17-7-16-10/h1-2,5,9H,3-4,6-7,13H2
InChIKeyRNYIUANNEPPCCZ-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.09
Rot. Bonds3

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

5-(2-aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one (PubChem CID 82382851) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one
PubChem CID82382851
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-(2-aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one
SMILESNCCC1CN(c2ccc3c(c2)OCO3)C(=O)O1
InChIInChI=1S/C12H14N2O4/c13-4-3-9-6-14(12(15)18-9)8-1-2-10-11(5-8)17-7-16-10/h1-2,5,9H,3-4,6-7,13H2
InChIKeyRNYIUANNEPPCCZ-UHFFFAOYSA-N
XLogP1.09
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-aminoethyl)-3-(1,3-benzodioxol-5-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 5-(2-aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one (CID 82382851) is 5-(2-aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one is NCCC1CN(c2ccc3c(c2)OCO3)C(=O)O1.
What is the InChIKey of 5-(2-aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one?
The InChIKey is RNYIUANNEPPCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c13-4-3-9-6-14(12(15)18-9)8-1-2-10-11(5-8)17-7-16-10/h1-2,5,9H,3-4,6-7,13H2.
What are the key properties of 5-(2-aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one?
5-(2-aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one has a molecular weight of 250.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82382851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).