Basic information
- CAS
1236222-47-1- Standard SMILES
CC(=NOc1ncnc(N2CCC(c3nc(C(C)C)no3)CC2)c1C)c1ccc(F)cc1- InChIKey
WYUDHDIYTXTISS-UHFFFAOYSA-N- Molecular formula
- C23H27FN6O2
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.21795229
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)ethanone O-[5-methyl-6-[4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-4-pyrimidinyl]oxime
- IUPAC
- 1-(4-fluorophenyl)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxyethanimine
Names & synonyms
SCHEMBL514135DTXSID1011052541-(4-Fluorophenyl)ethanone O-[5-methyl-6-[4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-4-pyrimidinyl]oxime1236222-47-1
Database identifiers
- CAS
1236222-47-1- PubChem CID
- 75220107
- DTXSID
DTXSID101105254
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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