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

C23H16FNO3 — CID 1352944

IUPAC4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)C1=Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H16FNO3/c24-19-10-6-17(7-11-19)15-27-20-12-8-16(9-13-20)14-21-22(25-28-23(21)26)18-4-2-1-3-5-18/h1-14H,15H2
InChIKeyCSPGKBBHZHPGNM-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.75
Rot. Bonds5

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

4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one (PubChem CID 1352944) has the molecular formula C23H16FNO3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
PubChem CID1352944
Molecular FormulaC23H16FNO3
Molecular Weight373.38 g/mol
Exact Mass373.11
IUPAC Name4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)C1=Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H16FNO3/c24-19-10-6-17(7-11-19)15-27-20-12-8-16(9-13-20)14-21-22(25-28-23(21)26)18-4-2-1-3-5-18/h1-14H,15H2
InChIKeyCSPGKBBHZHPGNM-UHFFFAOYSA-N
XLogP4.75
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of 4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one (CID 1352944) is 4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for 4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for 4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)C1=Cc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The InChIKey is CSPGKBBHZHPGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO3/c24-19-10-6-17(7-11-19)15-27-20-12-8-16(9-13-20)14-21-22(25-28-23(21)26)18-4-2-1-3-5-18/h1-14H,15H2.
What are the key properties of 4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one has a molecular weight of 373.38 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 1352944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).