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

C5H5NO3 — CID 135376200

IUPAC2-(1,2-oxazol-3-yloxy)acetaldehyde
SMILESO=CCOc1ccon1
InChIInChI=1S/C5H5NO3/c7-2-4-8-5-1-3-9-6-5/h1-3H,4H2
InChIKeyCOQYORAVVZZXFM-UHFFFAOYSA-N
MW127.10 g/mol
LogP0.25
Rot. Bonds3

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

2-(1,2-oxazol-3-yloxy)acetaldehyde (PubChem CID 135376200) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-yloxy)acetaldehyde.

Molecular Properties

Compound Name2-(1,2-oxazol-3-yloxy)acetaldehyde
PubChem CID135376200
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name2-(1,2-oxazol-3-yloxy)acetaldehyde
SMILESO=CCOc1ccon1
InChIInChI=1S/C5H5NO3/c7-2-4-8-5-1-3-9-6-5/h1-3H,4H2
InChIKeyCOQYORAVVZZXFM-UHFFFAOYSA-N
XLogP0.25
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 50.25
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-(1,2-oxazol-3-yloxy)acetaldehyde?
The IUPAC name of 2-(1,2-oxazol-3-yloxy)acetaldehyde (CID 135376200) is 2-(1,2-oxazol-3-yloxy)acetaldehyde.
What is the SMILES notation for 2-(1,2-oxazol-3-yloxy)acetaldehyde?
The canonical SMILES for 2-(1,2-oxazol-3-yloxy)acetaldehyde is O=CCOc1ccon1.
What is the InChIKey of 2-(1,2-oxazol-3-yloxy)acetaldehyde?
The InChIKey is COQYORAVVZZXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c7-2-4-8-5-1-3-9-6-5/h1-3H,4H2.
What are the key properties of 2-(1,2-oxazol-3-yloxy)acetaldehyde?
2-(1,2-oxazol-3-yloxy)acetaldehyde has a molecular weight of 127.10 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-yloxy)acetaldehyde is sourced from PubChem (CID 135376200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).