5-Chloro-2-(2-chlorophenyl)-7-(3-hydroxy-1-butynyl)-benzoxazole

HCID 4639255

Basic information

CAS
179315-82-3
Standard SMILES
CC(O)C#Cc1cc(Cl)cc2nc(-c3ccccc3Cl)oc12
InChIKey
AAKYWUJQMAQBKX-UHFFFAOYSA-N
Molecular formula
C17H11Cl2NO2
Average molar mass
332.2 g/mol

Names & identifiers

Preferred name
5-Chloro-2-(2-chlorophenyl)-7-(3-hydroxy-1-butynyl)-benzoxazole
IUPAC
4-[5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]but-3-yn-2-ol

Names & synonyms

SCHEMBL2490307AAKYWUJQMAQBKX-UHFFFAOYSA-NAKOS0244057554-(5-chloro-2-[2-chlorophenyl]benzoxazol-7-yl)but-3-yn-2-ol5-Chloro-2-(2-chlorophenyl)-7-(3-hydroxy-1-butynyl)-benzoxazole4-(5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl)-3-butyn-2-ol

Database identifiers

CAS
179315-82-3
PubChem CID
4639255
EC Number
123-281-2

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
46.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
22

Related reactions

3 records

Compound notes

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