2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde

C14H8ClNO2 — CID 18357650

IUPAC2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde
SMILESO=Cc1cc(Cl)ccc1-c1noc2ccccc12
InChIInChI=1S/C14H8ClNO2/c15-10-5-6-11(9(7-10)8-17)14-12-3-1-2-4-13(12)18-16-14/h1-8H
InChIKeyTZXZGFVNRMFJSE-UHFFFAOYSA-N
MW257.68 g/mol
LogP3.96
Rot. Bonds2

About 2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde

2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde (PubChem CID 18357650) has the molecular formula C14H8ClNO2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde
PubChem CID18357650
Molecular FormulaC14H8ClNO2
Molecular Weight257.68 g/mol
Exact Mass257.02
IUPAC Name2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde
SMILESO=Cc1cc(Cl)ccc1-c1noc2ccccc12
InChIInChI=1S/C14H8ClNO2/c15-10-5-6-11(9(7-10)8-17)14-12-3-1-2-4-13(12)18-16-14/h1-8H
InChIKeyTZXZGFVNRMFJSE-UHFFFAOYSA-N
XLogP3.96
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 53.96
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 2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde (CID 18357650) is 2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde is O=Cc1cc(Cl)ccc1-c1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde?
The InChIKey is TZXZGFVNRMFJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2/c15-10-5-6-11(9(7-10)8-17)14-12-3-1-2-4-13(12)18-16-14/h1-8H.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde?
2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde has a molecular weight of 257.68 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-5-chlorobenzaldehyde is sourced from PubChem (CID 18357650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).