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

C6H6ClNO2 — CID 84650971

IUPAC2-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde
SMILESCCc1oc(Cl)nc1C=O
InChIInChI=1S/C6H6ClNO2/c1-2-5-4(3-9)8-6(7)10-5/h3H,2H2,1H3
InChIKeyVEFMQSOAYJGEEN-UHFFFAOYSA-N
MW159.57 g/mol
LogP1.70
Rot. Bonds2

About 2-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde

2-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde (PubChem CID 84650971) has the molecular formula C6H6ClNO2 and a molecular weight of 159.57 g/mol. Its IUPAC name is 2-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde
PubChem CID84650971
Molecular FormulaC6H6ClNO2
Molecular Weight159.57 g/mol
Exact Mass159.01
IUPAC Name2-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde
SMILESCCc1oc(Cl)nc1C=O
InChIInChI=1S/C6H6ClNO2/c1-2-5-4(3-9)8-6(7)10-5/h3H,2H2,1H3
InChIKeyVEFMQSOAYJGEEN-UHFFFAOYSA-N
XLogP1.70
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.57
LogP ≤ 51.70
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-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 2-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde (CID 84650971) is 2-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 2-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 2-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde is CCc1oc(Cl)nc1C=O.
What is the InChIKey of 2-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde?
The InChIKey is VEFMQSOAYJGEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2/c1-2-5-4(3-9)8-6(7)10-5/h3H,2H2,1H3.
What are the key properties of 2-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde?
2-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde has a molecular weight of 159.57 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 84650971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).