2-(3,5-dimethyl-7,8-dihydro-6H-[1,2]oxazolo[4,5-b]azepin-7-yl)phenol
Basic information
- CAS
80610-12-4- Standard SMILES
CC1=Nc2c(C)noc2CC(c2ccccc2O)C1- InChIKey
UKAPBQCDYQXLJV-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12117776
Names & identifiers
- Preferred name
- 2-(3,5-dimethyl-7,8-dihydro-6H-[1,2]oxazolo[4,5-b]azepin-7-yl)phenol
- IUPAC
- 2-(3,5-dimethyl-7,8-dihydro-6H-[1,2]oxazolo[4,5-b]azepin-7-yl)phenol
Names & synonyms
NSC35609680610-12-42-(3,5-dimethyl-7,8-dihydro-6H-[1,2]oxazolo[4,5-b]azepin-7-yl)phenolDTXSID70320186UKAPBQCDYQXLJV-UHFFFAOYSA-NNSC-3560962-(3,5-Dimethyl-7,8-dihydro-6H-isoxazolo[4,5-b]azepin-7-yl)phenol #3,5-Dimethyl-7-O-hydroxyphenyl-7,8(6H)-dihydro-isoxazolo(4,5-b)azepine
Database identifiers
- CAS
80610-12-4- PubChem CID
- 337545
- DTXSID
DTXSID70320186
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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