5-Methyl-3-phenyl-6-(4-pyrrol-1-ylmethyl-phenyl)-5H-isoxazolo[4,5-c]pyridin-4-one

HCID 22015584
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Basic information

Standard SMILES
Cn1c(-c2ccc(Cn3cccc3)cc2)cc2onc(-c3ccccc3)c2c1=O
InChIKey
IBQKWQHKJWZQRA-UHFFFAOYSA-N
Molecular formula
C24H19N3O2
Average molar mass
381.4 g/mol

Names & identifiers

Preferred name
5-Methyl-3-phenyl-6-(4-pyrrol-1-ylmethyl-phenyl)-5H-isoxazolo[4,5-c]pyridin-4-one
IUPAC
5-methyl-3-phenyl-6-[4-(pyrrol-1-ylmethyl)phenyl]-[1,2]oxazolo[4,5-c]pyridin-4-one

Names & synonyms

SCHEMBL5535432IBQKWQHKJWZQRA-UHFFFAOYSA-N5-Methyl-3-phenyl-6-(4-pyrrol-1-ylmethyl-phenyl)-5H-isoxazolo[4,5-c]pyridin-4-one

Database identifiers

PubChem CID
22015584

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
51.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
29

Related reactions

2 records
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Compound notes

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