Basic information
- CAS
77931-63-6- Standard SMILES
Cc1noc2c1NC(=O)OCC2- InChIKey
LKQZEUSXEROTKP-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.05349212
Names & identifiers
- Preferred name
- 3-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one
- IUPAC
- 3-methyl-7,8-dihydro-4H-[1,2]oxazolo[4,5-d][1,3]oxazepin-5-one
Names & synonyms
77931-63-66KN5IT0EX4UNII-6KN5IT0EX43-Methyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-oneNSC 353676NSC-353676DTXSID202285823-Methyl-7,8-dihydroisoxazolo[4,5-d][1,3]oxazepin-5(4H)-one7,8-DIHYDRO-3-METHYLISOXAZOLO(4,5-D)(1,3)OXAZEPIN-5(4H)-ONEISOXAZOLO(4,5-D)(1,3)OXAZEPIN-5(4H)-ONE, 7,8-DIHYDRO-3-METHYL-RefChem:94813DTXCID70151073
Show more names
NSC3536763-methyl-7,8-dihydro-4H-isoxazolo[4,5-d][1,3]oxazepin-5-one3-Methyl-7,8-dihydro[1,2]oxazolo[4,5-d][1,3]oxazepin-5(4H)-one
Database identifiers
- CAS
77931-63-6- PubChem CID
- 337056
- DTXSID
DTXSID20228582- UNII
- 6KN5IT0EX4
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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