1,3-oxazole-2-carbaldehyde

C4H3NO2 — CID 14786609

IUPAC1,3-oxazole-2-carbaldehyde
SMILESO=Cc1ncco1
InChIInChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H
InChIKeyTYHOSUCCUICRLM-UHFFFAOYSA-N
MW97.07 g/mol
LogP0.49
Rot. Bonds1

About 1,3-oxazole-2-carbaldehyde

1,3-oxazole-2-carbaldehyde (PubChem CID 14786609) has the molecular formula C4H3NO2 and a molecular weight of 97.07 g/mol. Its IUPAC name is 1,3-oxazole-2-carbaldehyde.

Molecular Properties

Compound Name1,3-oxazole-2-carbaldehyde
PubChem CID14786609
Molecular FormulaC4H3NO2
Molecular Weight97.07 g/mol
Exact Mass97.02
IUPAC Name1,3-oxazole-2-carbaldehyde
SMILESO=Cc1ncco1
InChIInChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H
InChIKeyTYHOSUCCUICRLM-UHFFFAOYSA-N
XLogP0.49
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.07
LogP ≤ 50.49
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 1,3-oxazole-2-carbaldehyde?
The IUPAC name of 1,3-oxazole-2-carbaldehyde (CID 14786609) is 1,3-oxazole-2-carbaldehyde.
What is the SMILES notation for 1,3-oxazole-2-carbaldehyde?
The canonical SMILES for 1,3-oxazole-2-carbaldehyde is O=Cc1ncco1.
What is the InChIKey of 1,3-oxazole-2-carbaldehyde?
The InChIKey is TYHOSUCCUICRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H.
What are the key properties of 1,3-oxazole-2-carbaldehyde?
1,3-oxazole-2-carbaldehyde has a molecular weight of 97.07 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole-2-carbaldehyde is sourced from PubChem (CID 14786609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).