tert-Butyl 4-{4-[5-(2-nitrophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidine-1-carboxylate

HCID 67244232
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2nc(C3=NOC(c4ccccc4[N+](=O)[O-])C3)cs2)CC1
InChIKey
PAWSNHKPVNJCFW-UHFFFAOYSA-N
Molecular formula
C22H26N4O5S
Average molar mass
458.5 g/mol

Names & identifiers

Preferred name
tert-Butyl 4-{4-[5-(2-nitrophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidine-1-carboxylate
IUPAC
tert-butyl 4-[4-[5-(2-nitrophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL2003896PAWSNHKPVNJCFW-UHFFFAOYSA-Ntert-Butyl 4-{4-[5-(2-nitrophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidine-1-carboxylate

Database identifiers

PubChem CID
67244232

Properties

Computed structural properties

XLogP
4
Topological polar surface area
138 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
32

Related reactions

8 records
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Compound notes

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