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N-acetyl-1-benzyl-3-[(4{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)oxy]-1H-pyrazole-4-carboxamide

HCID 69217650
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)cc1
InChIKey
BQZRCLIRNJJZIG-UHFFFAOYSA-N
Molecular formula
C29H26N4O6
Average molar mass
526.5 g/mol

Names & identifiers

Preferred name
N-acetyl-1-benzyl-3-[(4{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)oxy]-1H-pyrazole-4-carboxamide
IUPAC
N-acetyl-1-benzyl-3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]pyrazole-4-carboxamide

Names & synonyms

SCHEMBL4852493BQZRCLIRNJJZIG-UHFFFAOYSA-NN-acetyl-1-benzyl-3-[(4{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)oxy]-1H-pyrazole-4-carboxamide

Database identifiers

PubChem CID
69217650

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
122 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
39
Formal charge
0
Complexity
803

Related reactions

2 records
New reaction record
HRID 1536592 reaction equation
HRID 1536592As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2221724 reaction equation
HRID 2221724As productuspto-grants-2008_05

Compound notes

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