Basic information
- Standard SMILES
CC1(C)CC(c2ccc(OC[C@@H]3Cn4c(CF)cc(=O)nc4O3)cc2)CC(C)(C)C1- InChIKey
KSFMZYMXQMRNPB-FQEVSTJZSA-N- Molecular formula
- C24H31FN2O3
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.23187102
Names & identifiers
- Preferred name
- (S)-5-Fluoromethyl-2-[4-(3,3,5,5-tetramethyl-cyclohexyl)-phenoxymethyl]-2,3-dihydro-oxazolo[3,2-a]pyrimidin-7-one
- IUPAC
- (2S)-5-(fluoromethyl)-2-[[4-(3,3,5,5-tetramethylcyclohexyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
Names & synonyms
SCHEMBL3148470KSFMZYMXQMRNPB-FQEVSTJZSA-N(S)-5-Fluoromethyl-2-[4-(3,3,5,5-tetramethyl-cyclohexyl)-phenoxymethyl]-2,3-dihydro-oxazolo[3,2-a]pyrimidin-7-one
Database identifiers
- PubChem CID
- 59252541
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 706
Related reactions
1 records
Compound notes
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