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

HCID 21884470
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Basic information

Standard SMILES
COc1ccc(-c2nc3cc(-c4ccc(Cl)c(C)c4)ccc3o2)cc1[N+](=O)[O-]
InChIKey
BXMIIVFVLYCNLJ-UHFFFAOYSA-N
Molecular formula
C21H15ClN2O4
Average molar mass
394.8 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL5834155BXMIIVFVLYCNLJ-UHFFFAOYSA-N2(3-Nitro-4-methoxyphenyl)-5-(3-methyl-4-chlorophenyl)benzoxazole2-(3-Nitro-4-methoxyphenyl)-5-(3-methyl-4-chlorophenyl)benzoxazole

Database identifiers

PubChem CID
21884470

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
81.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
28

Related reactions

2 records
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Compound notes

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