(4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one

C16H11ClFNO2 — CID 155424207

IUPAC(4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one
SMILESO=C1OC(c2cccc(Cl)c2)N/C1=C\c1ccc(F)cc1
InChIInChI=1S/C16H11ClFNO2/c17-12-3-1-2-11(9-12)15-19-14(16(20)21-15)8-10-4-6-13(18)7-5-10/h1-9,15,19H/b14-8-
InChIKeySJMJKGDDZIUDBJ-ZSOIEALJSA-N
MW303.72 g/mol
LogP3.67
Rot. Bonds2

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

(4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one (PubChem CID 155424207) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is (4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one
PubChem CID155424207
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name(4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one
SMILESO=C1OC(c2cccc(Cl)c2)N/C1=C\c1ccc(F)cc1
InChIInChI=1S/C16H11ClFNO2/c17-12-3-1-2-11(9-12)15-19-14(16(20)21-15)8-10-4-6-13(18)7-5-10/h1-9,15,19H/b14-8-
InChIKeySJMJKGDDZIUDBJ-ZSOIEALJSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.67
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 (4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one?
The IUPAC name of (4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one (CID 155424207) is (4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one.
What is the SMILES notation for (4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one?
The canonical SMILES for (4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one is O=C1OC(c2cccc(Cl)c2)N/C1=C\c1ccc(F)cc1.
What is the InChIKey of (4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one?
The InChIKey is SJMJKGDDZIUDBJ-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c17-12-3-1-2-11(9-12)15-19-14(16(20)21-15)8-10-4-6-13(18)7-5-10/h1-9,15,19H/b14-8-.
What are the key properties of (4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one?
(4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one has a molecular weight of 303.72 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazolidin-5-one is sourced from PubChem (CID 155424207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).