5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde

C8H5NO2S — CID 2776546

IUPAC5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1cc(-c2cccs2)on1
InChIInChI=1S/C8H5NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-5H
InChIKeyICENILRKNUKRPB-UHFFFAOYSA-N
MW179.20 g/mol
LogP2.22
Rot. Bonds2

About 5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde

5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde (PubChem CID 2776546) has the molecular formula C8H5NO2S and a molecular weight of 179.20 g/mol. Its IUPAC name is 5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde
PubChem CID2776546
Molecular FormulaC8H5NO2S
Molecular Weight179.20 g/mol
Exact Mass179.00
IUPAC Name5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1cc(-c2cccs2)on1
InChIInChI=1S/C8H5NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-5H
InChIKeyICENILRKNUKRPB-UHFFFAOYSA-N
XLogP2.22
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 52.22
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-thiophen-2-yl-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde (CID 2776546) is 5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde is O=Cc1cc(-c2cccs2)on1.
What is the InChIKey of 5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde?
The InChIKey is ICENILRKNUKRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-5H.
What are the key properties of 5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde?
5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde has a molecular weight of 179.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 2776546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).