3-bromo-2-(4-fluorophenyl)-7-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

HCID 89488337
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Basic information

Standard SMILES
CC1CCOc2c(Br)c(-c3ccc(F)cc3)nn21
InChIKey
LPAPKUWZISFINJ-UHFFFAOYSA-N
Molecular formula
C13H12BrFN2O
Average molar mass
311.15 g/mol

Names & identifiers

Preferred name
3-bromo-2-(4-fluorophenyl)-7-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
IUPAC
3-bromo-2-(4-fluorophenyl)-7-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

Names & synonyms

3-bromo-2-(4-fluorophenyl)-7-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine1429893-29-7MFCD32687585SCHEMBL14844879MFCD32263292BS-43688P20762LPAPKUWZISFINJ-UHFFFAOYSA-NSY323004F835112

Database identifiers

PubChem CID
89488337

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
27.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
18

Related reactions

1 records
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Compound notes

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