4-Chloromethyl-2-(3,5-dimethoxyphenyl)oxazole

HCID 22009728

Notes Reactions

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Basic information

Standard SMILES: COc1cc(OC)cc(-c2nc(CCl)co2)c1
InChIKey: YEQXPSGASORJEE-UHFFFAOYSA-N
Molecular formula: C12H12ClNO3
Average molar mass: 253.68 g/mol

Names & identifiers

Preferred name: 4-Chloromethyl-2-(3,5-dimethoxyphenyl)oxazole
IUPAC: 4-(chloromethyl)-2-(3,5-dimethoxyphenyl)-1,3-oxazole

Names & synonyms

4-chloromethyl-2-(3,5-dimethoxyphenyl)oxazole4-(Chloromethyl)-2-(3,5-dimethoxyphenyl)oxazole202594-67-0SCHEMBL5762224YEQXPSGASORJEE-UHFFFAOYSA-NAKOS005795585

Database identifiers

PubChem CID: 22009728

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 230

Related reactions

1 records

New reaction record

HRID 322264As productuspto-grants-2001_04

Compound notes

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