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

C16H11NO2 — CID 54315674

IUPAC2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde
SMILESO=Cc1ccccc1-c1ccc(-c2ncco2)cc1
InChIInChI=1S/C16H11NO2/c18-11-14-3-1-2-4-15(14)12-5-7-13(8-6-12)16-17-9-10-19-16/h1-11H
InChIKeySNZKUPUCVGXSHD-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.82
Rot. Bonds3

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

2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde (PubChem CID 54315674) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde
PubChem CID54315674
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde
SMILESO=Cc1ccccc1-c1ccc(-c2ncco2)cc1
InChIInChI=1S/C16H11NO2/c18-11-14-3-1-2-4-15(14)12-5-7-13(8-6-12)16-17-9-10-19-16/h1-11H
InChIKeySNZKUPUCVGXSHD-UHFFFAOYSA-N
XLogP3.82
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;2-phenyl-1,3-oxazole
CID 157335957
2-phenyl-1,3-oxazole;zinc
CID 175242530
2-(4-pyridin-2-ylphenyl)-1,3-oxazole
CID 142277060
2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole
CID 90367981
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-[4-(methoxymethoxy)phenyl]benzaldehyde
CID 22125803
carbon monoxide;chromium;2-phenylbenzaldehyde
CID 11120708
2-(2-phenylphenyl)benzaldehyde
CID 11322869
2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde
CID 66257438
2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
CID 106926336
2-(4-cyclobutylphenyl)benzaldehyde
CID 116506540
2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-(2-phenylphenyl)anthracen-9-yl]-3-pyridinyl]-1,3-oxazole
CID 121297738

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde?
The IUPAC name of 2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde (CID 54315674) is 2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde.
What is the SMILES notation for 2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde?
The canonical SMILES for 2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde is O=Cc1ccccc1-c1ccc(-c2ncco2)cc1.
What is the InChIKey of 2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde?
The InChIKey is SNZKUPUCVGXSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-11-14-3-1-2-4-15(14)12-5-7-13(8-6-12)16-17-9-10-19-16/h1-11H.
What are the key properties of 2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde?
2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde has a molecular weight of 249.27 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde is sourced from PubChem (CID 54315674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).