3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C15H15NO3 — CID 22912437

IUPAC3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(/C=C/C1CC1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C15H15NO3/c17-14(9-8-11-6-7-11)16-13(10-19-15(16)18)12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7,10H2/b9-8+
InChIKeyZRLNINBSUNBMPU-CMDGGOBGSA-N
MW257.29 g/mol
LogP2.67
Rot. Bonds3

About 3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 22912437) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID22912437
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(/C=C/C1CC1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C15H15NO3/c17-14(9-8-11-6-7-11)16-13(10-19-15(16)18)12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7,10H2/b9-8+
InChIKeyZRLNINBSUNBMPU-CMDGGOBGSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(E)-3-cyclopropylprop-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-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 22912437) is 3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(/C=C/C1CC1)N1C(=O)OCC1c1ccccc1.
What is the InChIKey of 3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is ZRLNINBSUNBMPU-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15NO3/c17-14(9-8-11-6-7-11)16-13(10-19-15(16)18)12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7,10H2/b9-8+.
What are the key properties of 3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 22912437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).