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

C11H12N2O3 — CID 45156473

IUPAC3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione
SMILESNCCN1C(=O)OC(c2ccccc2)C1=O
InChIInChI=1S/C11H12N2O3/c12-6-7-13-10(14)9(16-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2
InChIKeyQIPZWHWAOLBFOY-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.67
Rot. Bonds3

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

3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione (PubChem CID 45156473) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione
PubChem CID45156473
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione
SMILESNCCN1C(=O)OC(c2ccccc2)C1=O
InChIInChI=1S/C11H12N2O3/c12-6-7-13-10(14)9(16-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2
InChIKeyQIPZWHWAOLBFOY-UHFFFAOYSA-N
XLogP0.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione
CID 3029675
3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione
CID 45156479
4-(4-aminobutyl)-2-phenyl-1,4-benzoxazin-3-one
CID 82022144
6-amino-2-phenyl-4-propyl-1,4-benzoxazin-3-one
CID 82022162
5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
CID 82346261
6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
CID 82022163
3-(6-chloro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl)propanoic acid
CID 24738904
3-(7-chloro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl)propanoic acid
CID 24738905
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
6-amino-4-(2-methylpropyl)-2-phenyl-1,4-benzoxazin-3-one
CID 82022157
3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one
CID 82084550

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione (CID 45156473) is 3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione is NCCN1C(=O)OC(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione?
The InChIKey is QIPZWHWAOLBFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-6-7-13-10(14)9(16-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2.
What are the key properties of 3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione?
3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione has a molecular weight of 220.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 45156473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).