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

C17H12FNO3 — CID 10637727

IUPAC3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2coc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H12FNO3/c18-14-6-4-13(5-7-14)17-19-15(11-22-17)10-21-16-3-1-2-12(8-16)9-20/h1-9,11H,10H2
InChIKeyYNSPFGASTKGHOJ-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.87
Rot. Bonds5

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

3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde (PubChem CID 10637727) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
PubChem CID10637727
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Name3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2coc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H12FNO3/c18-14-6-4-13(5-7-14)17-19-15(11-22-17)10-21-16-3-1-2-12(8-16)9-20/h1-9,11H,10H2
InChIKeyYNSPFGASTKGHOJ-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 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde?
The IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde (CID 10637727) is 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde?
The canonical SMILES for 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde is O=Cc1cccc(OCc2coc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde?
The InChIKey is YNSPFGASTKGHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c18-14-6-4-13(5-7-14)17-19-15(11-22-17)10-21-16-3-1-2-12(8-16)9-20/h1-9,11H,10H2.
What are the key properties of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde?
3-[[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 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde is sourced from PubChem (CID 10637727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).