2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde

C7H9NO2 — CID 115084193

IUPAC2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde
SMILESCCc1nc(CC=O)co1
InChIInChI=1S/C7H9NO2/c1-2-7-8-6(3-4-9)5-10-7/h4-5H,2-3H2,1H3
InChIKeyYTTZUAVBYHXDJC-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.98
Rot. Bonds3

About 2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde

2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde (PubChem CID 115084193) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde
PubChem CID115084193
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde
SMILESCCc1nc(CC=O)co1
InChIInChI=1S/C7H9NO2/c1-2-7-8-6(3-4-9)5-10-7/h4-5H,2-3H2,1H3
InChIKeyYTTZUAVBYHXDJC-UHFFFAOYSA-N
XLogP0.98
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.98
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 2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde?
The IUPAC name of 2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde (CID 115084193) is 2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde?
The canonical SMILES for 2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde is CCc1nc(CC=O)co1.
What is the InChIKey of 2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde?
The InChIKey is YTTZUAVBYHXDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-7-8-6(3-4-9)5-10-7/h4-5H,2-3H2,1H3.
What are the key properties of 2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde?
2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde has a molecular weight of 139.15 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-oxazol-4-yl)acetaldehyde is sourced from PubChem (CID 115084193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).