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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Related Compounds

4-(4-Tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)oxazole
CID 138394724
Diphenyloxazole
CID 168750
3-[4-(4-Hydroxyphenyl)-1,3-oxazol-2-yl]phenol
CID 25192184
2-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetic acid
CID 3244952
2-Phenyl-4-oxazolecarboxamide
CID 604678
{3-[(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)methoxy]phenyl}methanol
CID 11140977
N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3243889
4-{[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetyl}morpholine
CID 3244402
Dimethyl [4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]benzylidene]-malonate
CID 10788309
6-Fluoro-2-(2-methoxyphenyl)-1,3-benzoxazole
CID 44587517
Benzyl 2-phenyloxazole-4-carboxylate
CID 46866387
(2-Phenyl-4-oxazolyl)(3,4,5-trimethoxyphenyl)methanone
CID 53363700

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).