Basic information
- Standard SMILES
CCc1cnc(N2CCC([C@H]3C[C@H]3COCc3ccc(-c4ncno4)cc3)CC2)nc1- InChIKey
QWWUQSYMUBWJKL-FCHUYYIVSA-N- Molecular formula
- C24H29N5O2
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.23212518
Names & identifiers
- Preferred name
- 5-ethyl-2-{4-[(1R,2R)-2-({[4-(1,2,4-oxadiazol-5-yl)benzyl]oxy}methyl)cyclopropyl]piperidin-1-yl}pyrimidine
- IUPAC
- 5-[4-[[(1R,2R)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]-1,2,4-oxadiazole
Names & synonyms
SCHEMBL14317427QWWUQSYMUBWJKL-FCHUYYIVSA-N5-ethyl-2-{4-[(1R,2R)-2-({[4-(1,2,4-oxadiazol-5-yl)benzyl]oxy}methyl)cyclopropyl]piperidin-1-yl}pyrimidine
Database identifiers
- PubChem CID
- 71136811
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 542
Related reactions
1 records
Compound notes
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