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

HCID 21884446
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Basic information

Standard SMILES
COc1ccc(-c2nc3cc(-c4ccc(Cl)cc4)ccc3o2)cc1[N+](=O)[O-]
InChIKey
OXZAFGXRBCRQGF-UHFFFAOYSA-N
Molecular formula
C20H13ClN2O4
Average molar mass
380.8 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL5834268OXZAFGXRBCRQGF-UHFFFAOYSA-N2-(3-Nitro-4-methoxyphenyl)-5-(4-chlorophenyl)benzoxazole

Database identifiers

PubChem CID
21884446

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
81.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
27

Related reactions

2 records
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Compound notes

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