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

C5H5NO2 — CID 22631092

IUPAC2-(1,2-oxazol-3-yl)acetaldehyde
SMILESO=CCc1ccon1
InChIInChI=1S/C5H5NO2/c7-3-1-5-2-4-8-6-5/h2-4H,1H2
InChIKeyDBKBDWSMTFTWBJ-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.42
Rot. Bonds2

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

2-(1,2-oxazol-3-yl)acetaldehyde (PubChem CID 22631092) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,2-oxazol-3-yl)acetaldehyde
PubChem CID22631092
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name2-(1,2-oxazol-3-yl)acetaldehyde
SMILESO=CCc1ccon1
InChIInChI=1S/C5H5NO2/c7-3-1-5-2-4-8-6-5/h2-4H,1H2
InChIKeyDBKBDWSMTFTWBJ-UHFFFAOYSA-N
XLogP0.42
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.42
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-oxazol-3-yl)acetaldehyde?
The IUPAC name of 2-(1,2-oxazol-3-yl)acetaldehyde (CID 22631092) is 2-(1,2-oxazol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(1,2-oxazol-3-yl)acetaldehyde?
The canonical SMILES for 2-(1,2-oxazol-3-yl)acetaldehyde is O=CCc1ccon1.
What is the InChIKey of 2-(1,2-oxazol-3-yl)acetaldehyde?
The InChIKey is DBKBDWSMTFTWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c7-3-1-5-2-4-8-6-5/h2-4H,1H2.
What are the key properties of 2-(1,2-oxazol-3-yl)acetaldehyde?
2-(1,2-oxazol-3-yl)acetaldehyde has a molecular weight of 111.10 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-yl)acetaldehyde is sourced from PubChem (CID 22631092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).