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

C20H13NO2 — CID 90680934

IUPAC4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2-c2nc3ccccc3o2)cc1
InChIInChI=1S/C20H13NO2/c22-13-14-9-11-15(12-10-14)16-5-1-2-6-17(16)20-21-18-7-3-4-8-19(18)23-20/h1-13H
InChIKeyCAOAVSDZGPSOOO-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.97
Rot. Bonds3

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

4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde (PubChem CID 90680934) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde
PubChem CID90680934
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2-c2nc3ccccc3o2)cc1
InChIInChI=1S/C20H13NO2/c22-13-14-9-11-15(12-10-14)16-5-1-2-6-17(16)20-21-18-7-3-4-8-19(18)23-20/h1-13H
InChIKeyCAOAVSDZGPSOOO-UHFFFAOYSA-N
XLogP4.97
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde?
The IUPAC name of 4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde (CID 90680934) is 4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde.
What is the SMILES notation for 4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde?
The canonical SMILES for 4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde is O=Cc1ccc(-c2ccccc2-c2nc3ccccc3o2)cc1.
What is the InChIKey of 4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde?
The InChIKey is CAOAVSDZGPSOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-13-14-9-11-15(12-10-14)16-5-1-2-6-17(16)20-21-18-7-3-4-8-19(18)23-20/h1-13H.
What are the key properties of 4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde?
4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde has a molecular weight of 299.33 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde is sourced from PubChem (CID 90680934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).