Basic information
- Standard SMILES
CC(C)COc1cccc2onc(OCC3CCNCC3)c12- InChIKey
GDYNMHSFJZCBTE-UHFFFAOYSA-N- Molecular formula
- C17H24N2O3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.17869263
Names & identifiers
- Preferred name
- 4-Isobutoxy-3-(piperidin-4-ylmethoxy)-1,2-benzisoxazole
- IUPAC
- 4-(2-methylpropoxy)-3-(piperidin-4-ylmethoxy)-1,2-benzoxazole
Names & synonyms
SCHEMBL5123206GDYNMHSFJZCBTE-UHFFFAOYSA-N4-Isobutoxy-3-(piperidin-4-ylmethoxy)-1,2-benzisoxazole
Database identifiers
- PubChem CID
- 69316977
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 334
Related reactions
3 records
Compound notes
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