4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde

C22H15NO2 — CID 102390910

IUPAC4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C22H15NO2/c24-15-16-10-12-17(13-11-16)19-8-4-5-9-20(19)21-14-22(25-23-21)18-6-2-1-3-7-18/h1-15H
InChIKeyDTIWSUVDESOIHZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP5.49
Rot. Bonds4

About 4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde

4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde (PubChem CID 102390910) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde
PubChem CID102390910
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C22H15NO2/c24-15-16-10-12-17(13-11-16)19-8-4-5-9-20(19)21-14-22(25-23-21)18-6-2-1-3-7-18/h1-15H
InChIKeyDTIWSUVDESOIHZ-UHFFFAOYSA-N
XLogP5.49
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.37
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-phenyl-1,2-oxazol-3-yl)benzaldehyde
CID 18357596
4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde
CID 163982177
ethane;5-phenyl-1,2-oxazole-3-carbaldehyde
CID 144767511
3,4-bis(2-phenylphenyl)benzaldehyde
CID 141272209
5-phenyl-3-pyridin-4-yl-1,2-oxazole
CID 5112426
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 67512216
3-(5-chloro-2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 150298354
4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde
CID 90680934
4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde
CID 88946416
(E)-but-2-enedioic acid;1-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]but-3-en-1-amine
CID 159992821
[4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate
CID 144750288
5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole
CID 71425543

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde?
The IUPAC name of 4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde (CID 102390910) is 4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde.
What is the SMILES notation for 4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde?
The canonical SMILES for 4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde is O=Cc1ccc(-c2ccccc2-c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde?
The InChIKey is DTIWSUVDESOIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2/c24-15-16-10-12-17(13-11-16)19-8-4-5-9-20(19)21-14-22(25-23-21)18-6-2-1-3-7-18/h1-15H.
What are the key properties of 4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde?
4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde has a molecular weight of 325.37 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde is sourced from PubChem (CID 102390910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).