CHEBI:125281 - [(4R,5R)-5-(2-azidophenyl)-4-[(2-azidophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazol-4-yl]-(1-piperidinyl)methanone

ChEBI IDCHEBI:125281
ChEBI Name[(4R,5R)-5-(2-azidophenyl)-4-[(2-azidophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazol-4-yl]-(1-piperidinyl)methanone
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FormulaC31H32N8O4
Net Charge0
Average Mass580.649
Monoisotopic Mass580.25465
SMILES[N-]=[N+]=Nc1ccccc1C[C@@]1(C(=O)N2CCCCC2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C31H32N8O4/c32-37-35-26-11-4-2-9-23(26)21-31(30(41)39-17-6-1-7-18-39)28(25-10-3-5-12-27(25)36-38-33)43-29(34-31)22-13-15-24(16-14-22)42-20-8-19-40/h2-5,9-16,28,40H,1,6-8,17-21H2/t28-,31-/m1/s1
InChIKeyVLPQQABTJITFIP-GRKNLSHJSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
central nervous system stimulant  Any drug that enhances the activity of the central nervous system.
ChEBI Ontology
Outgoing Relation(s)
[(4R,5R)-5-(2-azidophenyl)-4-[(2-azidophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazol-4-yl]-(1-piperidinyl)methanone (CHEBI:125281) is a amphetamines (CHEBI:35338)
Manual XrefsDatabases
LSM-36752LINCS