2-(4-Chlorophenyl)-4,5-dimethyl-1,3-oxazol 3-oxide

HCID 3243952

Notes Reactions

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Basic information

Standard SMILES: Cc1oc(-c2ccc(Cl)cc2)[n+]([O-])c1C
InChIKey: CYNQLGURBNRMRS-UHFFFAOYSA-N
Molecular formula: C11H10ClNO2
Average molar mass: 223.65 g/mol
Monoisotopic mass: 223.0400063

Names & identifiers

Preferred name: 2-(4-Chlorophenyl)-4,5-dimethyl-1,3-oxazol 3-oxide
IUPAC: 2-(4-chlorophenyl)-4,5-dimethyl-3-oxido-1,3-oxazol-3-ium

Names & synonyms

2-(4-CHLOROPHENYL)-4,5-DIMETHYL-1,3-OXAZOL-3-IUM-3-OLATE2-(4-chlorophenyl)-4,5-dimethyl-1,3-oxazole 3-oxideSCHEMBL924858CHEMBL1621917CYNQLGURBNRMRS-UHFFFAOYSA-NAKOS001584292BRD-K07067629-001-01-62-(4-Chlorophenyl)-4,5-dimethyl-1,3-oxazol 3-oxide

Database identifiers

PubChem CID: 3243952
ChEMBL: CHEMBL1621917

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 38.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 219

Related reactions

8 records

New reaction record

HRID 242165As productuspto-grants-2014_02

HRID 242166As reactantuspto-grants-2014_02

HRID 508162As reactantuspto-grants-2015_08

HRID 1873585As productuspto-grants-2012_11

HRID 1873586As reactantuspto-grants-2012_11

HRID 1916261As productuspto-grants-2013_12

HRID 1916262As reactantuspto-grants-2013_12

HRID 2092242As reactantuspto-grants-2013_05

Compound notes

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