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

C11H12N2O4 — CID 82023137

IUPAC5-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc3c(c2)OCO3)C(=O)O1
InChIInChI=1S/C11H12N2O4/c12-4-8-5-13(11(14)17-8)7-1-2-9-10(3-7)16-6-15-9/h1-3,8H,4-6,12H2
InChIKeyVEHRJLFQEVXWEF-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.70
Rot. Bonds2

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

5-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one (PubChem CID 82023137) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one
PubChem CID82023137
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name5-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc3c(c2)OCO3)C(=O)O1
InChIInChI=1S/C11H12N2O4/c12-4-8-5-13(11(14)17-8)7-1-2-9-10(3-7)16-6-15-9/h1-3,8H,4-6,12H2
InChIKeyVEHRJLFQEVXWEF-UHFFFAOYSA-N
XLogP0.70
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one (CID 82023137) is 5-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one is NCC1CN(c2ccc3c(c2)OCO3)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one?
The InChIKey is VEHRJLFQEVXWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c12-4-8-5-13(11(14)17-8)7-1-2-9-10(3-7)16-6-15-9/h1-3,8H,4-6,12H2.
What are the key properties of 5-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one has a molecular weight of 236.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82023137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).