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

C16H9F2NO2 — CID 830867

IUPAC(4Z)-2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(F)cc1
InChIInChI=1S/C16H9F2NO2/c17-12-5-1-10(2-6-12)9-14-16(20)21-15(19-14)11-3-7-13(18)8-4-11/h1-9H/b14-9-
InChIKeyWXMCJKCMGAZBRY-ZROIWOOFSA-N
MW285.25 g/mol
LogP3.31
Rot. Bonds2

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

(4Z)-2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 830867) has the molecular formula C16H9F2NO2 and a molecular weight of 285.25 g/mol. Its IUPAC name is (4Z)-2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
PubChem CID830867
Molecular FormulaC16H9F2NO2
Molecular Weight285.25 g/mol
Exact Mass285.06
IUPAC Name(4Z)-2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(F)cc1
InChIInChI=1S/C16H9F2NO2/c17-12-5-1-10(2-6-12)9-14-16(20)21-15(19-14)11-3-7-13(18)8-4-11/h1-9H/b14-9-
InChIKeyWXMCJKCMGAZBRY-ZROIWOOFSA-N
XLogP3.31
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 53.31
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 (4Z)-2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one (CID 830867) is (4Z)-2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(F)cc1.
What is the InChIKey of (4Z)-2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is WXMCJKCMGAZBRY-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H9F2NO2/c17-12-5-1-10(2-6-12)9-14-16(20)21-15(19-14)11-3-7-13(18)8-4-11/h1-9H/b14-9-.
What are the key properties of (4Z)-2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 285.25 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 830867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).