2-(3-Nitro-4-methoxyphenyl)-5-(2-benzothiophenyl)benzoxazole

HCID 21884548

Basic information

Standard SMILES
COc1ccc(-c2nc3cc(-c4cc5ccccc5s4)ccc3o2)cc1[N+](=O)[O-]
InChIKey
CRRBGIUVLDNFHI-UHFFFAOYSA-N
Molecular formula
C22H14N2O4S
Average molar mass
402.4 g/mol

Names & identifiers

Preferred name
2-(3-Nitro-4-methoxyphenyl)-5-(2-benzothiophenyl)benzoxazole
IUPAC
5-(1-benzothiophen-2-yl)-2-(4-methoxy-3-nitrophenyl)-1,3-benzoxazole

Names & synonyms

SCHEMBL5834999CRRBGIUVLDNFHI-UHFFFAOYSA-N2-(3-nitro-4-methoxyphenyl)-5-(2-benzothiophenyl) benzoxazole2-(3-Nitro-4-methoxyphenyl)-5-(2-benzothiophenyl)benzoxazole

Database identifiers

PubChem CID
21884548

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
109 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
29

Related reactions

4 records

Compound notes

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