(S)-6-(2-Methyl-allyl)-3-{(S)-1-[4-(5-methyl-[1,3,4]oxadiazol-2-yl)-phenyl]-ethyl}-6-phenyl-[1,3]oxazinan-2-one
Basic information
- Standard SMILES
C=C(C)C[C@@]1(c2ccccc2)CCN([C@@H](C)c2ccc(-c3nnc(C)o3)cc2)C(=O)O1- InChIKey
JKSRMQQWNOJGAG-AVRWGWEMSA-N- Molecular formula
- C25H27N3O3
- Average molar mass
- 417.5 g/mol
Names & identifiers
- Preferred name
- (S)-6-(2-Methyl-allyl)-3-{(S)-1-[4-(5-methyl-[1,3,4]oxadiazol-2-yl)-phenyl]-ethyl}-6-phenyl-[1,3]oxazinan-2-one
- IUPAC
- (6S)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-(2-methylprop-2-enyl)-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL959067JKSRMQQWNOJGAG-AVRWGWEMSA-N(S)-6-(2-Methyl-allyl)-3-{(S)-1-[4-(5-methyl-[1,3,4]oxadiazol-2-yl)-phenyl]-ethyl}-6-phenyl-[1,3]oxazinan-2-one
Database identifiers
- PubChem CID
- 66857751
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 642
Related reactions
4 records
Compound notes
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