2-[3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazole

HCID 21990986
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Basic information

Standard SMILES
COc1cc(-c2nc3ccccc3o2)ccc1B1OC(C)(C)C(C)(C)O1
InChIKey
YAZNYFZLDRSASX-UHFFFAOYSA-N
Molecular formula
C20H22BNO4
Average molar mass
351.2 g/mol

Names & identifiers

Preferred name
2-[3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazole
IUPAC
2-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazole

Names & synonyms

SCHEMBL5831873YAZNYFZLDRSASX-UHFFFAOYSA-N2-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazole

Database identifiers

PubChem CID
21990986

Properties

Computed structural properties

Topological polar surface area
53.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
26

Related reactions

14 records
New reaction record

Linked notes

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2-[3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazole (HCID 21990986)｜Huagongshe