Basic information
- Standard SMILES
CSc1nc2c(o1)CN(CC(=O)N1CCN(C3CCC3)CC1)CC2- InChIKey
BJWRXHSUKNTYKU-UHFFFAOYSA-N- Molecular formula
- C17H26N4O2S
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.17764726
Names & identifiers
- Preferred name
- 5-[2-(4-Cyclobutylpiperazin-1-yl)-2-oxoethyl]-2-methylthio-4,5,6,7-tetrahydro[1,3]oxazolo[5,4-c]pyridine
- IUPAC
- 1-(4-cyclobutylpiperazin-1-yl)-2-(2-methylsulfanyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone
Names & synonyms
SCHEMBL1016399BJWRXHSUKNTYKU-UHFFFAOYSA-N5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2-methylthio-4,5,6,7-tetrahydro[1,3]oxazolo[5,4-c]pyridine
Database identifiers
- PubChem CID
- 59463597
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Related reactions
1 records
Compound notes
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