5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde

C10H6ClNO2 — CID 15315535

IUPAC5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde
SMILESO=Cc1ncoc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H6ClNO2/c11-8-3-1-7(2-4-8)10-9(5-13)12-6-14-10/h1-6H
InChIKeyDXDDLZBWHNLKPG-UHFFFAOYSA-N
MW207.62 g/mol
LogP2.81
Rot. Bonds2

About 5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde

5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde (PubChem CID 15315535) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde
PubChem CID15315535
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde
SMILESO=Cc1ncoc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H6ClNO2/c11-8-3-1-7(2-4-8)10-9(5-13)12-6-14-10/h1-6H
InChIKeyDXDDLZBWHNLKPG-UHFFFAOYSA-N
XLogP2.81
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 52.81
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 5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde (CID 15315535) is 5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde is O=Cc1ncoc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde?
The InChIKey is DXDDLZBWHNLKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c11-8-3-1-7(2-4-8)10-9(5-13)12-6-14-10/h1-6H.
What are the key properties of 5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde?
5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde has a molecular weight of 207.62 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 15315535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).