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

HCID 21884574
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Basic information

Standard SMILES
COc1ccc(-c2nc3cc(-c4ccc(C(F)(F)F)cc4)ccc3o2)cc1[N+](=O)[O-]
InChIKey
CLUJRCOFKBUVKF-UHFFFAOYSA-N
Molecular formula
C21H13F3N2O4
Average molar mass
414.3 g/mol
Monoisotopic mass
414.08274139

Names & identifiers

Preferred name
2-(3-Nitro-4-methoxyphenyl)-5-(4-trifluoromethylphenyl)benzoxazole
IUPAC
2-(4-methoxy-3-nitrophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole

Names & synonyms

2-(3-Nitro-4-methoxyphenyl)-5-(4-trifluoromethylphenyl)benzoxazoleSCHEMBL5834496

Database identifiers

PubChem CID
21884574

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
81.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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