5-Chloromethyl-7-(2-chlorophenyl)-8a-methyl-3,7,8,8a-tetrahydro-2H-oxazolo[3,2-a]pyridine-6,8-dicarboxylic acid 6-ethyl 8-methyl ester

HCID 86752182
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Basic information

Standard SMILES
CCOC(=O)C1=C(CCl)N2CCOC2(C)C(C(=O)OC)C1c1ccccc1Cl
InChIKey
MRLKODPSKNOBEY-UHFFFAOYSA-N
Molecular formula
C20H23Cl2NO5
Average molar mass
428.3 g/mol

Names & identifiers

Preferred name
5-Chloromethyl-7-(2-chlorophenyl)-8a-methyl-3,7,8,8a-tetrahydro-2H-oxazolo[3,2-a]pyridine-6,8-dicarboxylic acid 6-ethyl 8-methyl ester
IUPAC
6-O-ethyl 8-O-methyl 5-(chloromethyl)-7-(2-chlorophenyl)-8a-methyl-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridine-6,8-dicarboxylate

Names & synonyms

MRLKODPSKNOBEY-UHFFFAOYSA-N5-Chloromethyl-7-(2-chlorophenyl)-8a-methyl-3,7,8,8a-tetrahydro-2H-oxazolo[3,2-a]pyridine-6,8-dicarboxylic acid 6-ethyl 8-methyl ester

Database identifiers

PubChem CID
86752182

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
65.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
28

Related reactions

1 records
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Compound notes

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