5-ethyl-1,2-oxazole-4-carbonyl chloride

C6H6ClNO2 — CID 19439804

IUPAC5-ethyl-1,2-oxazole-4-carbonyl chloride
SMILESCCc1oncc1C(=O)Cl
InChIInChI=1S/C6H6ClNO2/c1-2-5-4(6(7)9)3-8-10-5/h3H,2H2,1H3
InChIKeyRFXIFHIHWYTKIG-UHFFFAOYSA-N
MW159.57 g/mol
LogP1.62
Rot. Bonds2

About 5-ethyl-1,2-oxazole-4-carbonyl chloride

5-ethyl-1,2-oxazole-4-carbonyl chloride (PubChem CID 19439804) has the molecular formula C6H6ClNO2 and a molecular weight of 159.57 g/mol. Its IUPAC name is 5-ethyl-1,2-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-ethyl-1,2-oxazole-4-carbonyl chloride
PubChem CID19439804
Molecular FormulaC6H6ClNO2
Molecular Weight159.57 g/mol
Exact Mass159.01
IUPAC Name5-ethyl-1,2-oxazole-4-carbonyl chloride
SMILESCCc1oncc1C(=O)Cl
InChIInChI=1S/C6H6ClNO2/c1-2-5-4(6(7)9)3-8-10-5/h3H,2H2,1H3
InChIKeyRFXIFHIHWYTKIG-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2-oxazole-4-carbonyl chloride?
The IUPAC name of 5-ethyl-1,2-oxazole-4-carbonyl chloride (CID 19439804) is 5-ethyl-1,2-oxazole-4-carbonyl chloride.
What is the SMILES notation for 5-ethyl-1,2-oxazole-4-carbonyl chloride?
The canonical SMILES for 5-ethyl-1,2-oxazole-4-carbonyl chloride is CCc1oncc1C(=O)Cl.
What is the InChIKey of 5-ethyl-1,2-oxazole-4-carbonyl chloride?
The InChIKey is RFXIFHIHWYTKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2/c1-2-5-4(6(7)9)3-8-10-5/h3H,2H2,1H3.
What are the key properties of 5-ethyl-1,2-oxazole-4-carbonyl chloride?
5-ethyl-1,2-oxazole-4-carbonyl chloride has a molecular weight of 159.57 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2-oxazole-4-carbonyl chloride is sourced from PubChem (CID 19439804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).