5-Benzyl-3-methyl-6-propyl-5H-isoxazolo[5,4-d]pyrimidin-4-one

HCID 22222281
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCc1nc2onc(C)c2c(=O)n1Cc1ccccc1
InChIKey
UNMBYEAJEKFBGG-UHFFFAOYSA-N
Molecular formula
C16H17N3O2
Average molar mass
283.32 g/mol
Monoisotopic mass
283.13207679

Names & identifiers

Preferred name
5-Benzyl-3-methyl-6-propyl-5H-isoxazolo[5,4-d]pyrimidin-4-one
IUPAC
5-benzyl-3-methyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one

Names & synonyms

5-Benzyl-3-methyl-6-propyl-5H-isoxazolo[5,4-d]pyrimidin-4-one758721-91-4SCHEMBL3871568UNMBYEAJEKFBGG-UHFFFAOYSA-NDB-317155

Database identifiers

PubChem CID
22222281

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
58.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
21

Related reactions

5 records
New reaction record

Linked notes

Loading…