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

C18H15NO3 — CID 6255679

IUPAC4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccccc1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C18H15NO3/c20-17(12-11-14-7-3-1-4-8-14)19-16(13-22-18(19)21)15-9-5-2-6-10-15/h1-12,16H,13H2/b12-11+
InChIKeyRJNZUERQMGKTAF-VAWYXSNFSA-N
MW293.32 g/mol
LogP3.42
Rot. Bonds3

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

4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 6255679) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID6255679
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccccc1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C18H15NO3/c20-17(12-11-14-7-3-1-4-8-14)19-16(13-22-18(19)21)15-9-5-2-6-10-15/h1-12,16H,13H2/b12-11+
InChIKeyRJNZUERQMGKTAF-VAWYXSNFSA-N
XLogP3.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one (CID 6255679) is 4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1ccccc1)N1C(=O)OCC1c1ccccc1.
What is the InChIKey of 4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is RJNZUERQMGKTAF-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H15NO3/c20-17(12-11-14-7-3-1-4-8-14)19-16(13-22-18(19)21)15-9-5-2-6-10-15/h1-12,16H,13H2/b12-11+.
What are the key properties of 4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 293.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 6255679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).