(3S,5R)-3-Isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,4-oxazin-2-one

HCID 12413874
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Basic information

Standard SMILES
CC(C)[C@@H]1N[C@H](c2ccccc2)COC1=O
InChIKey
UKCOTVPGRWAFBP-RYUDHWBXSA-N
Molecular formula
C13H17NO2
Average molar mass
219.28 g/mol
Monoisotopic mass
219.12592879

Names & identifiers

Preferred name
(3S,5R)-3-Isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,4-oxazin-2-one
IUPAC
(3S,5R)-5-phenyl-3-propan-2-ylmorpholin-2-one

Names & synonyms

SCHEMBL1315418UKCOTVPGRWAFBP-RYUDHWBXSA-N(3S,5R)-3-Isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,4-oxazin-2-one

Database identifiers

PubChem CID
12413874

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16

Related reactions

2 records
New reaction record

Compound notes

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