2-[3-methoxy-4-(2H-1,2,3-triazol-2-ylmethyl)phenyl]-1,3-benzoxazole

HCID 10125596
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Basic information

Standard SMILES
COc1cc(-c2nc3ccccc3o2)ccc1Cn1nccn1
InChIKey
RWRKGPTZDIZTTL-UHFFFAOYSA-N
Molecular formula
C17H14N4O2
Average molar mass
306.32 g/mol

Names & identifiers

Preferred name
2-[3-methoxy-4-(2H-1,2,3-triazol-2-ylmethyl)phenyl]-1,3-benzoxazole
IUPAC
2-[3-methoxy-4-(triazol-2-ylmethyl)phenyl]-1,3-benzoxazole

Names & synonyms

SCHEMBL5832858RWRKGPTZDIZTTL-UHFFFAOYSA-N2-[3-methoxy-4-(2H-1,2,3-triazol-2-ylmethyl)phenyl]-1,3-benzoxazole

Database identifiers

PubChem CID
10125596

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
66 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

Related reactions

1 records
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Compound notes

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