5-Benzyl-6-(1-bromo-propyl)-3-methyl-5h-isoxazolo[5,4-d]pyrimidin-4-one

HCID 22222344

Basic information

Standard SMILES
CCC(Br)c1nc2onc(C)c2c(=O)n1Cc1ccccc1
InChIKey
ANUNTDIVDISQGR-UHFFFAOYSA-N
Molecular formula
C16H16BrN3O2
Average molar mass
362.22 g/mol

Names & identifiers

Preferred name
5-Benzyl-6-(1-bromo-propyl)-3-methyl-5h-isoxazolo[5,4-d]pyrimidin-4-one
IUPAC
5-benzyl-6-(1-bromopropyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one

Names & synonyms

5-benzyl-6-(1-bromo-propyl)-3-methyl-5h-isoxazolo[5,4-d]pyrimidin-4-oneSCHEMBL3875862ANUNTDIVDISQGR-UHFFFAOYSA-N758721-92-5DB-317159(+/-)-5-benzyl-6-(1-bromo-propyl)-3-methyl-5h-isoxazolo[5,4-d]pyrimidin-4-one

Database identifiers

PubChem CID
22222344

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
58.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
22

Related reactions

5 records

Linked notes

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