5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde

C8H4ClNO2S — CID 115005771

IUPAC5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1cnoc1-c1ccc(Cl)s1
InChIInChI=1S/C8H4ClNO2S/c9-7-2-1-6(13-7)8-5(4-11)3-10-12-8/h1-4H
InChIKeyGYWJMJLLMTYCTJ-UHFFFAOYSA-N
MW213.65 g/mol
LogP2.87
Rot. Bonds2

About 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde

5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde (PubChem CID 115005771) has the molecular formula C8H4ClNO2S and a molecular weight of 213.65 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde
PubChem CID115005771
Molecular FormulaC8H4ClNO2S
Molecular Weight213.65 g/mol
Exact Mass212.97
IUPAC Name5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1cnoc1-c1ccc(Cl)s1
InChIInChI=1S/C8H4ClNO2S/c9-7-2-1-6(13-7)8-5(4-11)3-10-12-8/h1-4H
InChIKeyGYWJMJLLMTYCTJ-UHFFFAOYSA-N
XLogP2.87
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.65
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde (CID 115005771) is 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde is O=Cc1cnoc1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde?
The InChIKey is GYWJMJLLMTYCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO2S/c9-7-2-1-6(13-7)8-5(4-11)3-10-12-8/h1-4H.
What are the key properties of 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde?
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde has a molecular weight of 213.65 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 115005771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).