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

C5H4ClNO2 — CID 2759917

IUPAC5-methyl-1,2-oxazole-4-carbonyl chloride
SMILESCc1oncc1C(=O)Cl
InChIInChI=1S/C5H4ClNO2/c1-3-4(5(6)8)2-7-9-3/h2H,1H3
InChIKeyZKAQPVQEYCFRTK-UHFFFAOYSA-N
MW145.55 g/mol
LogP1.36
Rot. Bonds1

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

5-methyl-1,2-oxazole-4-carbonyl chloride (PubChem CID 2759917) has the molecular formula C5H4ClNO2 and a molecular weight of 145.55 g/mol. Its IUPAC name is 5-methyl-1,2-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-methyl-1,2-oxazole-4-carbonyl chloride
PubChem CID2759917
Molecular FormulaC5H4ClNO2
Molecular Weight145.55 g/mol
Exact Mass144.99
IUPAC Name5-methyl-1,2-oxazole-4-carbonyl chloride
SMILESCc1oncc1C(=O)Cl
InChIInChI=1S/C5H4ClNO2/c1-3-4(5(6)8)2-7-9-3/h2H,1H3
InChIKeyZKAQPVQEYCFRTK-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 ≤ 500145.55
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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Related Compounds

1-(5-Methyl-1,2-oxazol-4-yl)ethan-1-one
CID 2764059
4-(Chloromethyl)-5-methyl-1,2-oxazole
CID 13849756
5-Methyl-1,2-oxazole-4-carbaldehyde
CID 15721166
5-Chloromethyl-4-methylisoxazole
CID 57419855
2-Chloro-1-(5-methyl-1,2-oxazol-4-yl)ethan-1-one
CID 75356442
5-Methylisoxazole-4-carboxamide
CID 18366019
5-(Trifluoromethyl)isoxazole-4-carbonyl chloride
CID 19439775
5-Methyl-1,2-oxazole-4-carboxylate
CID 6985532
InChI=1/C5H4Cl3NO/c1-3-2-9-10-4(3)5(6,7)8/h2H,1H
CID 5324213
4-Isoxazolecarbonyl chloride, 5-(chloromethyl)-
CID 19439733
5-Propyl-1,2-oxazole-4-carbonyl chloride
CID 19439757
5-Ethylisoxazole-4-carbonyl chloride
CID 19439804

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-oxazole-4-carbonyl chloride?
The IUPAC name of 5-methyl-1,2-oxazole-4-carbonyl chloride (CID 2759917) is 5-methyl-1,2-oxazole-4-carbonyl chloride.
What is the SMILES notation for 5-methyl-1,2-oxazole-4-carbonyl chloride?
The canonical SMILES for 5-methyl-1,2-oxazole-4-carbonyl chloride is Cc1oncc1C(=O)Cl.
What is the InChIKey of 5-methyl-1,2-oxazole-4-carbonyl chloride?
The InChIKey is ZKAQPVQEYCFRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2/c1-3-4(5(6)8)2-7-9-3/h2H,1H3.
What are the key properties of 5-methyl-1,2-oxazole-4-carbonyl chloride?
5-methyl-1,2-oxazole-4-carbonyl chloride has a molecular weight of 145.55 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-4-carbonyl chloride is sourced from PubChem (CID 2759917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).