5-ethyl-1,3-oxazole-4-carbaldehyde

C6H7NO2 — CID 55296960

IUPAC5-ethyl-1,3-oxazole-4-carbaldehyde
SMILESCCc1ocnc1C=O
InChIInChI=1S/C6H7NO2/c1-2-6-5(3-8)7-4-9-6/h3-4H,2H2,1H3
InChIKeyIKSANIZBVXFDPF-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.05
Rot. Bonds2

About 5-ethyl-1,3-oxazole-4-carbaldehyde

5-ethyl-1,3-oxazole-4-carbaldehyde (PubChem CID 55296960) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 5-ethyl-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-1,3-oxazole-4-carbaldehyde
PubChem CID55296960
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name5-ethyl-1,3-oxazole-4-carbaldehyde
SMILESCCc1ocnc1C=O
InChIInChI=1S/C6H7NO2/c1-2-6-5(3-8)7-4-9-6/h3-4H,2H2,1H3
InChIKeyIKSANIZBVXFDPF-UHFFFAOYSA-N
XLogP1.05
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.05
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-ethyl-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 5-ethyl-1,3-oxazole-4-carbaldehyde (CID 55296960) is 5-ethyl-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-ethyl-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 5-ethyl-1,3-oxazole-4-carbaldehyde is CCc1ocnc1C=O.
What is the InChIKey of 5-ethyl-1,3-oxazole-4-carbaldehyde?
The InChIKey is IKSANIZBVXFDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-2-6-5(3-8)7-4-9-6/h3-4H,2H2,1H3.
What are the key properties of 5-ethyl-1,3-oxazole-4-carbaldehyde?
5-ethyl-1,3-oxazole-4-carbaldehyde has a molecular weight of 125.13 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 55296960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).