(4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one

C16H12ClNO2 — CID 22301034

IUPAC(4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one
SMILESO=C1OC(c2ccccc2)N/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO2/c17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12/h1-10,15,18H/b14-10+
InChIKeyUOGGNNXDBKBHEO-GXDHUFHOSA-N
MW285.73 g/mol
LogP3.53
Rot. Bonds2

About (4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one

(4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one (PubChem CID 22301034) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is (4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one
PubChem CID22301034
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name(4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one
SMILESO=C1OC(c2ccccc2)N/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO2/c17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12/h1-10,15,18H/b14-10+
InChIKeyUOGGNNXDBKBHEO-GXDHUFHOSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.53
H-Bond Donors ≤ 51
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 (4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one?
The IUPAC name of (4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one (CID 22301034) is (4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one.
What is the SMILES notation for (4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one?
The canonical SMILES for (4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one is O=C1OC(c2ccccc2)N/C1=C/c1ccc(Cl)cc1.
What is the InChIKey of (4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one?
The InChIKey is UOGGNNXDBKBHEO-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12/h1-10,15,18H/b14-10+.
What are the key properties of (4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one?
(4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one has a molecular weight of 285.73 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 22301034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).