5-(Benzoxazol-2-yl)-2-(tetrahydropyran-4-yl)nitrobenzene

HCID 67498108
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Basic information

Standard SMILES
O=[N+]([O-])c1cc(-c2nc3ccccc3o2)ccc1C1CCOCC1
InChIKey
QYXDAHCVQUWHAZ-UHFFFAOYSA-N
Molecular formula
C18H16N2O4
Average molar mass
324.3 g/mol

Names & identifiers

Preferred name
5-(Benzoxazol-2-yl)-2-(tetrahydropyran-4-yl)nitrobenzene
IUPAC
2-[3-nitro-4-(oxan-4-yl)phenyl]-1,3-benzoxazole

Names & synonyms

SCHEMBL2687203QYXDAHCVQUWHAZ-UHFFFAOYSA-N5-(benzoxazol-2-yl)-2-(tetrahydropyran-4-yl)nitrobenzene

Database identifiers

PubChem CID
67498108

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
81.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
24

Related reactions

2 records
New reaction record

Linked notes

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