Basic information
- Standard SMILES
Cc1cccc(C)c1OCc1noc(C2CCC2)c1CO- InChIKey
RFSSAHQDONRTGG-UHFFFAOYSA-N- Molecular formula
- C17H21NO3
- Average molar mass
- 287.35 g/mol
- Monoisotopic mass
- 287.15214353
Names & identifiers
- Preferred name
- (5-Cyclobutyl-3-{[(2,6-dimethylphenyl)oxy]methyl}-4-isoxazolyl)methanol
- IUPAC
- [5-cyclobutyl-3-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-4-yl]methanol
Names & synonyms
SCHEMBL2003475RFSSAHQDONRTGG-UHFFFAOYSA-N(5-cyclobutyl-3-{[(2,6-dimethyl phenyl)oxy]methyl}-4-isoxazolyl)methanol(5-cyclobutyl-3-{[(2,6-dimethylphenyl)oxy]methyl}-4-isoxazolyl)methanol
Database identifiers
- PubChem CID
- 59321504
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 324
Related reactions
4 records
Compound notes
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