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

C9H12ClNO2 — CID 88775384

IUPAC5-pentyl-1,2-oxazole-4-carbonyl chloride
SMILESCCCCCc1oncc1C(=O)Cl
InChIInChI=1S/C9H12ClNO2/c1-2-3-4-5-8-7(9(10)12)6-11-13-8/h6H,2-5H2,1H3
InChIKeyCLQNCTXTGGWRBQ-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.79
Rot. Bonds5

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

5-pentyl-1,2-oxazole-4-carbonyl chloride (PubChem CID 88775384) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 5-pentyl-1,2-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-pentyl-1,2-oxazole-4-carbonyl chloride
PubChem CID88775384
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name5-pentyl-1,2-oxazole-4-carbonyl chloride
SMILESCCCCCc1oncc1C(=O)Cl
InChIInChI=1S/C9H12ClNO2/c1-2-3-4-5-8-7(9(10)12)6-11-13-8/h6H,2-5H2,1H3
InChIKeyCLQNCTXTGGWRBQ-UHFFFAOYSA-N
XLogP2.79
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-pentyl-1,2-oxazole-4-carbonyl chloride?
The IUPAC name of 5-pentyl-1,2-oxazole-4-carbonyl chloride (CID 88775384) is 5-pentyl-1,2-oxazole-4-carbonyl chloride.
What is the SMILES notation for 5-pentyl-1,2-oxazole-4-carbonyl chloride?
The canonical SMILES for 5-pentyl-1,2-oxazole-4-carbonyl chloride is CCCCCc1oncc1C(=O)Cl.
What is the InChIKey of 5-pentyl-1,2-oxazole-4-carbonyl chloride?
The InChIKey is CLQNCTXTGGWRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-2-3-4-5-8-7(9(10)12)6-11-13-8/h6H,2-5H2,1H3.
What are the key properties of 5-pentyl-1,2-oxazole-4-carbonyl chloride?
5-pentyl-1,2-oxazole-4-carbonyl chloride has a molecular weight of 201.65 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1,2-oxazole-4-carbonyl chloride is sourced from PubChem (CID 88775384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).