2,5-dimethyl-1,3-oxazole-4-carbonyl chloride

C6H6ClNO2 — CID 7018020

IUPAC2,5-dimethyl-1,3-oxazole-4-carbonyl chloride
SMILESCc1nc(C(=O)Cl)c(C)o1
InChIInChI=1S/C6H6ClNO2/c1-3-5(6(7)9)8-4(2)10-3/h1-2H3
InChIKeyXZXCVPKMCPXVFF-UHFFFAOYSA-N
MW159.57 g/mol
LogP1.67
Rot. Bonds1

About 2,5-dimethyl-1,3-oxazole-4-carbonyl chloride

2,5-dimethyl-1,3-oxazole-4-carbonyl chloride (PubChem CID 7018020) has the molecular formula C6H6ClNO2 and a molecular weight of 159.57 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name2,5-dimethyl-1,3-oxazole-4-carbonyl chloride
PubChem CID7018020
Molecular FormulaC6H6ClNO2
Molecular Weight159.57 g/mol
Exact Mass159.01
IUPAC Name2,5-dimethyl-1,3-oxazole-4-carbonyl chloride
SMILESCc1nc(C(=O)Cl)c(C)o1
InChIInChI=1S/C6H6ClNO2/c1-3-5(6(7)9)8-4(2)10-3/h1-2H3
InChIKeyXZXCVPKMCPXVFF-UHFFFAOYSA-N
XLogP1.67
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.57
LogP ≤ 51.67
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

2,5-Dimethyl-1,3-oxazole-4-carboxaldehyde
CID 7537478
4-(Chloromethyl)-2,5-dimethyl-1,3-oxazole
CID 7537479
5-(Difluoromethyl)-2-methyl-1,3-oxazole-4-carbonyl chloride
CID 125493150
5-methyl-1,3-oxazole-4-carbonyl Chloride
CID 11194412
Dimethyl-1,3-oxazole-5-carbonyl chloride
CID 12336332
4-Methyl-1,3-oxazole-2,5-dicarbonyl dichloride
CID 71438017
2,5-Dimethyl-1,3-oxazole-4-carbonyl iodide
CID 144132555
2,4-Dimethyl-1,3-oxazole-5-carbonyl chloride;ethane
CID 144872125
2,5-Dimethyl-1,3-oxazole-4-carbaldehyde;methane
CID 159060279
2-Chloro-5-methyl-1,3-oxazole-4-carbaldehyde
CID 84649068
4-(Chloromethyl)-2-ethyl-5-methyl-1,3-oxazole
CID 85954525
2-Ethyl-5-methyl-1,3-oxazole-4-carbaldehyde
CID 130026351

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-oxazole-4-carbonyl chloride?
The IUPAC name of 2,5-dimethyl-1,3-oxazole-4-carbonyl chloride (CID 7018020) is 2,5-dimethyl-1,3-oxazole-4-carbonyl chloride.
What is the SMILES notation for 2,5-dimethyl-1,3-oxazole-4-carbonyl chloride?
The canonical SMILES for 2,5-dimethyl-1,3-oxazole-4-carbonyl chloride is Cc1nc(C(=O)Cl)c(C)o1.
What is the InChIKey of 2,5-dimethyl-1,3-oxazole-4-carbonyl chloride?
The InChIKey is XZXCVPKMCPXVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2/c1-3-5(6(7)9)8-4(2)10-3/h1-2H3.
What are the key properties of 2,5-dimethyl-1,3-oxazole-4-carbonyl chloride?
2,5-dimethyl-1,3-oxazole-4-carbonyl chloride has a molecular weight of 159.57 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-oxazole-4-carbonyl chloride is sourced from PubChem (CID 7018020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).