4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde

C17H12FNO3 — CID 32563257

IUPAC4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2coc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C17H12FNO3/c18-14-5-3-13(4-6-14)17-19-15(11-22-17)10-21-16-7-1-12(9-20)2-8-16/h1-9,11H,10H2
InChIKeyPZEGUKXFWDLKRP-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.87
Rot. Bonds5

About 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde

4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde (PubChem CID 32563257) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
PubChem CID32563257
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Name4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2coc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C17H12FNO3/c18-14-5-3-13(4-6-14)17-19-15(11-22-17)10-21-16-7-1-12(9-20)2-8-16/h1-9,11H,10H2
InChIKeyPZEGUKXFWDLKRP-UHFFFAOYSA-N
XLogP3.87
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde?
The IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde (CID 32563257) is 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde is O=Cc1ccc(OCc2coc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde?
The InChIKey is PZEGUKXFWDLKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c18-14-5-3-13(4-6-14)17-19-15(11-22-17)10-21-16-7-1-12(9-20)2-8-16/h1-9,11H,10H2.
What are the key properties of 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde?
4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde has a molecular weight of 297.29 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde is sourced from PubChem (CID 32563257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).