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

C17H12FNO2 — CID 5411194

IUPAC(4Z)-4-[(4-fluorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
SMILESCc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)O2)cc1
InChIInChI=1S/C17H12FNO2/c1-11-2-6-13(7-3-11)16-19-15(17(20)21-16)10-12-4-8-14(18)9-5-12/h2-10H,1H3/b15-10-
InChIKeyAHRXFCKMLBHXIS-GDNBJRDFSA-N
MW281.29 g/mol
LogP3.48
Rot. Bonds2

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

(4Z)-4-[(4-fluorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one (PubChem CID 5411194) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is (4Z)-4-[(4-fluorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(4-fluorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
PubChem CID5411194
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name(4Z)-4-[(4-fluorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
SMILESCc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)O2)cc1
InChIInChI=1S/C17H12FNO2/c1-11-2-6-13(7-3-11)16-19-15(17(20)21-16)10-12-4-8-14(18)9-5-12/h2-10H,1H3/b15-10-
InChIKeyAHRXFCKMLBHXIS-GDNBJRDFSA-N
XLogP3.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.48
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)-4-[(4-fluorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(4-fluorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one (CID 5411194) is (4Z)-4-[(4-fluorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(4-fluorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(4-fluorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one is Cc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)O2)cc1.
What is the InChIKey of (4Z)-4-[(4-fluorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
The InChIKey is AHRXFCKMLBHXIS-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-11-2-6-13(7-3-11)16-19-15(17(20)21-16)10-12-4-8-14(18)9-5-12/h2-10H,1H3/b15-10-.
What are the key properties of (4Z)-4-[(4-fluorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one?
(4Z)-4-[(4-fluorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one has a molecular weight of 281.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-fluorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 5411194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).