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

C7H8ClNO2 — CID 19439757

IUPAC5-propyl-1,2-oxazole-4-carbonyl chloride
SMILESCCCc1oncc1C(=O)Cl
InChIInChI=1S/C7H8ClNO2/c1-2-3-6-5(7(8)10)4-9-11-6/h4H,2-3H2,1H3
InChIKeyPVOAUAGSWWTCGQ-UHFFFAOYSA-N
MW173.60 g/mol
LogP2.01
Rot. Bonds3

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

5-propyl-1,2-oxazole-4-carbonyl chloride (PubChem CID 19439757) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is 5-propyl-1,2-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-propyl-1,2-oxazole-4-carbonyl chloride
PubChem CID19439757
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC Name5-propyl-1,2-oxazole-4-carbonyl chloride
SMILESCCCc1oncc1C(=O)Cl
InChIInChI=1S/C7H8ClNO2/c1-2-3-6-5(7(8)10)4-9-11-6/h4H,2-3H2,1H3
InChIKeyPVOAUAGSWWTCGQ-UHFFFAOYSA-N
XLogP2.01
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 52.01
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-propyl-1,2-oxazole-4-carbonyl chloride?
The IUPAC name of 5-propyl-1,2-oxazole-4-carbonyl chloride (CID 19439757) is 5-propyl-1,2-oxazole-4-carbonyl chloride.
What is the SMILES notation for 5-propyl-1,2-oxazole-4-carbonyl chloride?
The canonical SMILES for 5-propyl-1,2-oxazole-4-carbonyl chloride is CCCc1oncc1C(=O)Cl.
What is the InChIKey of 5-propyl-1,2-oxazole-4-carbonyl chloride?
The InChIKey is PVOAUAGSWWTCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2/c1-2-3-6-5(7(8)10)4-9-11-6/h4H,2-3H2,1H3.
What are the key properties of 5-propyl-1,2-oxazole-4-carbonyl chloride?
5-propyl-1,2-oxazole-4-carbonyl chloride has a molecular weight of 173.60 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1,2-oxazole-4-carbonyl chloride is sourced from PubChem (CID 19439757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).