3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione

C11H11NO3 — CID 11680041

IUPAC3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1CCc1ccccc1
InChIInChI=1S/C11H11NO3/c13-10-8-15-11(14)12(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyUCHBCVUDTONWJW-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.21
Rot. Bonds3

About 3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione

3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione (PubChem CID 11680041) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione
PubChem CID11680041
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1CCc1ccccc1
InChIInChI=1S/C11H11NO3/c13-10-8-15-11(14)12(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyUCHBCVUDTONWJW-UHFFFAOYSA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione (CID 11680041) is 3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is UCHBCVUDTONWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-8-15-11(14)12(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione?
3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 205.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 11680041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).