2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde

C5H5NO2S — CID 57210614

IUPAC2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde
SMILESO=CCSc1ncco1
InChIInChI=1S/C5H5NO2S/c7-2-4-9-5-6-1-3-8-5/h1-3H,4H2
InChIKeyIZUCTDNANQHYOC-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.97
Rot. Bonds3

About 2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde

2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde (PubChem CID 57210614) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde
PubChem CID57210614
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde
SMILESO=CCSc1ncco1
InChIInChI=1S/C5H5NO2S/c7-2-4-9-5-6-1-3-8-5/h1-3H,4H2
InChIKeyIZUCTDNANQHYOC-UHFFFAOYSA-N
XLogP0.97
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.97
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 2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde (CID 57210614) is 2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde is O=CCSc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde?
The InChIKey is IZUCTDNANQHYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c7-2-4-9-5-6-1-3-8-5/h1-3H,4H2.
What are the key properties of 2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde?
2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde has a molecular weight of 143.17 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanyl)acetaldehyde is sourced from PubChem (CID 57210614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).