5-methyl-1,2-oxazole-3-carbaldehyde

C5H5NO2 — CID 2795222

IUPAC5-methyl-1,2-oxazole-3-carbaldehyde
SMILESCc1cc(C=O)no1
InChIInChI=1S/C5H5NO2/c1-4-2-5(3-7)6-8-4/h2-3H,1H3
InChIKeyOCOCVXUEFWNRJU-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.80
Rot. Bonds1

About 5-methyl-1,2-oxazole-3-carbaldehyde

5-methyl-1,2-oxazole-3-carbaldehyde (PubChem CID 2795222) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 5-methyl-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-1,2-oxazole-3-carbaldehyde
PubChem CID2795222
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name5-methyl-1,2-oxazole-3-carbaldehyde
SMILESCc1cc(C=O)no1
InChIInChI=1S/C5H5NO2/c1-4-2-5(3-7)6-8-4/h2-3H,1H3
InChIKeyOCOCVXUEFWNRJU-UHFFFAOYSA-N
XLogP0.80
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.80
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 5-methyl-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 5-methyl-1,2-oxazole-3-carbaldehyde (CID 2795222) is 5-methyl-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 5-methyl-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 5-methyl-1,2-oxazole-3-carbaldehyde is Cc1cc(C=O)no1.
What is the InChIKey of 5-methyl-1,2-oxazole-3-carbaldehyde?
The InChIKey is OCOCVXUEFWNRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c1-4-2-5(3-7)6-8-4/h2-3H,1H3.
What are the key properties of 5-methyl-1,2-oxazole-3-carbaldehyde?
5-methyl-1,2-oxazole-3-carbaldehyde has a molecular weight of 111.10 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 2795222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).