3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione

C12H14N2O3 — CID 45156479

IUPAC3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione
SMILESNCCN1C(=O)OC(Cc2ccccc2)C1=O
InChIInChI=1S/C12H14N2O3/c13-6-7-14-11(15)10(17-12(14)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2
InChIKeyYWMBOIPTSSDASZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.54
Rot. Bonds4

About 3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione

3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione (PubChem CID 45156479) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione
PubChem CID45156479
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione
SMILESNCCN1C(=O)OC(Cc2ccccc2)C1=O
InChIInChI=1S/C12H14N2O3/c13-6-7-14-11(15)10(17-12(14)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2
InChIKeyYWMBOIPTSSDASZ-UHFFFAOYSA-N
XLogP0.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione (CID 45156479) is 3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione is NCCN1C(=O)OC(Cc2ccccc2)C1=O.
What is the InChIKey of 3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione?
The InChIKey is YWMBOIPTSSDASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c13-6-7-14-11(15)10(17-12(14)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2.
What are the key properties of 3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione?
3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 45156479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).