5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione

C16H10FNO4 — CID 69015481

IUPAC5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(Oc3ccc(F)cc3)cc2)O1
InChIInChI=1S/C16H10FNO4/c17-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)9-14-15(19)18-16(20)22-14/h1-9H,(H,18,19,20)
InChIKeyHACAINFDCIJFNG-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.23
Rot. Bonds3

About 5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione

5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 69015481) has the molecular formula C16H10FNO4 and a molecular weight of 299.26 g/mol. Its IUPAC name is 5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione
PubChem CID69015481
Molecular FormulaC16H10FNO4
Molecular Weight299.26 g/mol
Exact Mass299.06
IUPAC Name5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(Oc3ccc(F)cc3)cc2)O1
InChIInChI=1S/C16H10FNO4/c17-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)9-14-15(19)18-16(20)22-14/h1-9H,(H,18,19,20)
InChIKeyHACAINFDCIJFNG-UHFFFAOYSA-N
XLogP3.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione (CID 69015481) is 5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccc(Oc3ccc(F)cc3)cc2)O1.
What is the InChIKey of 5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is HACAINFDCIJFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO4/c17-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)9-14-15(19)18-16(20)22-14/h1-9H,(H,18,19,20).
What are the key properties of 5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione?
5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 299.26 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-fluorophenoxy)phenyl]methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 69015481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).