4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one

C17H10FNO3 — CID 54084055

IUPAC4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1=CC(=O)c1cccc(F)c1
InChIInChI=1S/C17H10FNO3/c18-13-8-4-7-12(9-13)15(20)10-14-17(21)22-16(19-14)11-5-2-1-3-6-11/h1-10H
InChIKeyMPDUTKKYSFEICL-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.90
Rot. Bonds3

About 4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one

4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 54084055) has the molecular formula C17H10FNO3 and a molecular weight of 295.27 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID54084055
Molecular FormulaC17H10FNO3
Molecular Weight295.27 g/mol
Exact Mass295.06
IUPAC Name4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1=CC(=O)c1cccc(F)c1
InChIInChI=1S/C17H10FNO3/c18-13-8-4-7-12(9-13)15(20)10-14-17(21)22-16(19-14)11-5-2-1-3-6-11/h1-10H
InChIKeyMPDUTKKYSFEICL-UHFFFAOYSA-N
XLogP2.90
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
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 4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one (CID 54084055) is 4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1=CC(=O)c1cccc(F)c1.
What is the InChIKey of 4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is MPDUTKKYSFEICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO3/c18-13-8-4-7-12(9-13)15(20)10-14-17(21)22-16(19-14)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one?
4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 295.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)-2-oxoethylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 54084055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).