5-methyl-1,2-oxazole-3-carbonyl chloride

C5H4ClNO2 — CID 2736894

IUPAC5-methyl-1,2-oxazole-3-carbonyl chloride
SMILESCc1cc(C(=O)Cl)no1
InChIInChI=1S/C5H4ClNO2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3
InChIKeyXMVNMWDLOGSUSM-UHFFFAOYSA-N
MW145.54 g/mol
LogP1.36
Rot. Bonds1

About 5-methyl-1,2-oxazole-3-carbonyl chloride

5-methyl-1,2-oxazole-3-carbonyl chloride (PubChem CID 2736894) has the molecular formula C5H4ClNO2 and a molecular weight of 145.54 g/mol. Its IUPAC name is 5-methyl-1,2-oxazole-3-carbonyl chloride.

Molecular Properties

Compound Name5-methyl-1,2-oxazole-3-carbonyl chloride
PubChem CID2736894
Molecular FormulaC5H4ClNO2
Molecular Weight145.54 g/mol
Exact Mass144.99
IUPAC Name5-methyl-1,2-oxazole-3-carbonyl chloride
SMILESCc1cc(C(=O)Cl)no1
InChIInChI=1S/C5H4ClNO2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3
InChIKeyXMVNMWDLOGSUSM-UHFFFAOYSA-N
XLogP1.36
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.54
LogP ≤ 51.36
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-methyl-1,2-oxazole-3-carbonyl chloride?
The IUPAC name of 5-methyl-1,2-oxazole-3-carbonyl chloride (CID 2736894) is 5-methyl-1,2-oxazole-3-carbonyl chloride.
What is the SMILES notation for 5-methyl-1,2-oxazole-3-carbonyl chloride?
The canonical SMILES for 5-methyl-1,2-oxazole-3-carbonyl chloride is Cc1cc(C(=O)Cl)no1.
What is the InChIKey of 5-methyl-1,2-oxazole-3-carbonyl chloride?
The InChIKey is XMVNMWDLOGSUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3.
What are the key properties of 5-methyl-1,2-oxazole-3-carbonyl chloride?
5-methyl-1,2-oxazole-3-carbonyl chloride has a molecular weight of 145.54 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-oxazole-3-carbonyl chloride is sourced from PubChem (CID 2736894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).