3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one

C13H13NO3 — CID 3962637

IUPAC3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESC=C(C)C(=O)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C13H13NO3/c1-9(2)12(15)14-11(8-17-13(14)16)10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3
InChIKeyUJBHHSVLIFXDJH-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.28
Rot. Bonds2

About 3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one

3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 3962637) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID3962637
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESC=C(C)C(=O)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C13H13NO3/c1-9(2)12(15)14-11(8-17-13(14)16)10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3
InChIKeyUJBHHSVLIFXDJH-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2-methylprop-2-enoyl)-4-phenyl-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 3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one (CID 3962637) is 3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one is C=C(C)C(=O)N1C(=O)OCC1c1ccccc1.
What is the InChIKey of 3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is UJBHHSVLIFXDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9(2)12(15)14-11(8-17-13(14)16)10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3.
What are the key properties of 3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one?
3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 231.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3962637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).