3-amino-1,2-oxazole-4-carbaldehyde

C4H4N2O2 — CID 87280025

IUPAC3-amino-1,2-oxazole-4-carbaldehyde
SMILESNc1nocc1C=O
InChIInChI=1S/C4H4N2O2/c5-4-3(1-7)2-8-6-4/h1-2H,(H2,5,6)
InChIKeyIUWADFOGXUONPB-UHFFFAOYSA-N
MW112.09 g/mol
LogP0.07
Rot. Bonds1

About 3-amino-1,2-oxazole-4-carbaldehyde

3-amino-1,2-oxazole-4-carbaldehyde (PubChem CID 87280025) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 3-amino-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name3-amino-1,2-oxazole-4-carbaldehyde
PubChem CID87280025
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name3-amino-1,2-oxazole-4-carbaldehyde
SMILESNc1nocc1C=O
InChIInChI=1S/C4H4N2O2/c5-4-3(1-7)2-8-6-4/h1-2H,(H2,5,6)
InChIKeyIUWADFOGXUONPB-UHFFFAOYSA-N
XLogP0.07
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 50.07
H-Bond Donors ≤ 51
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 3-amino-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 3-amino-1,2-oxazole-4-carbaldehyde (CID 87280025) is 3-amino-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 3-amino-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 3-amino-1,2-oxazole-4-carbaldehyde is Nc1nocc1C=O.
What is the InChIKey of 3-amino-1,2-oxazole-4-carbaldehyde?
The InChIKey is IUWADFOGXUONPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2/c5-4-3(1-7)2-8-6-4/h1-2H,(H2,5,6).
What are the key properties of 3-amino-1,2-oxazole-4-carbaldehyde?
3-amino-1,2-oxazole-4-carbaldehyde has a molecular weight of 112.09 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 87280025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).