(4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one

C13H13NO2 — CID 142056305

IUPAC(4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OC[C@@H]1C#Cc1ccccc1
InChIInChI=1S/C13H13NO2/c1-2-14-12(10-16-13(14)15)9-8-11-6-4-3-5-7-11/h3-7,12H,2,10H2,1H3/t12-/m0/s1
InChIKeyUMBAXVYJPYYWIW-LBPRGKRZSA-N
MW215.25 g/mol
LogP1.88
Rot. Bonds1

About (4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one

(4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one (PubChem CID 142056305) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one
PubChem CID142056305
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OC[C@@H]1C#Cc1ccccc1
InChIInChI=1S/C13H13NO2/c1-2-14-12(10-16-13(14)15)9-8-11-6-4-3-5-7-11/h3-7,12H,2,10H2,1H3/t12-/m0/s1
InChIKeyUMBAXVYJPYYWIW-LBPRGKRZSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4S)-3-ethyl-4-(2-phenylethynyl)-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 (4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one (CID 142056305) is (4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one is CCN1C(=O)OC[C@@H]1C#Cc1ccccc1.
What is the InChIKey of (4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one?
The InChIKey is UMBAXVYJPYYWIW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-14-12(10-16-13(14)15)9-8-11-6-4-3-5-7-11/h3-7,12H,2,10H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one?
(4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one has a molecular weight of 215.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-ethyl-4-(2-phenylethynyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 142056305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).