Oxazolo[4,5-e][2,1]benzisoxazole
Completing data — refresh the page later to see the latest
Basic information
- CAS
630112-26-4- Standard SMILES
c1nc2c(ccc3nocc32)o1- InChIKey
MBNDTUXNJCGCJZ-UHFFFAOYSA-N- Molecular formula
- C8H4N2O2
- Average molar mass
- 160.13 g/mol
- Monoisotopic mass
- 160.02727738
Names & identifiers
- Preferred name
- Oxazolo[4,5-e][2,1]benzisoxazole
- IUPAC
- [1,3]oxazolo[4,5-e][2,1]benzoxazole
- English name
- Oxazolo[4,5-e][2,1]benzisoxazole (9CI)
- Molecular formula
- C8H4N2O2
- Molecular weight
- 160.13
Names & synonyms
oxazolo[4,5-e][2,1]benzisoxazole630112-26-4[1,3]oxazolo[4,5-e][2,1]benzoxazoleDTXSID20393466DB-266605Oxazolo[4,5-e][2,1]benzisoxazole (9CI)
Database identifiers
- CAS
630112-26-4- PubChem CID
- 3540653
- DTXSID
DTXSID20393466
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…