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3-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-isoxazole-5-carboxylic acid (tetrahydro-furan-3-yl)-amide

HCID 46896887
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1onc(-c2ccccc2)c1COc1cc(C(=O)NC2CCOC2)on1
InChIKey
FQADIMZLSHYQBR-UHFFFAOYSA-N
Molecular formula
C19H19N3O5
Average molar mass
369.4 g/mol

Names & identifiers

Preferred name
3-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-isoxazole-5-carboxylic acid (tetrahydro-furan-3-yl)-amide
IUPAC
3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-3-yl)-1,2-oxazole-5-carboxamide

Names & synonyms

SCHEMBL7797644FQADIMZLSHYQBR-UHFFFAOYSA-N3-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-isoxazole-5-carboxylic acid (tetrahydro-furan-3-yl)-amide

Database identifiers

PubChem CID
46896887

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
99.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
27
Formal charge
0
Complexity
502

Related reactions

2 records
New reaction record
HRID 179576 reaction equation
HRID 179576As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1920900 reaction equation
HRID 1920900As productuspto-grants-2012_05

Compound notes

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