Basic information
- CAS
81534-88-5- Standard SMILES
CCc1nc2c(Br)c3oc(CC)nc3c(C)c2o1- InChIKey
KRDFMDIMNRCGOX-UHFFFAOYSA-N- Molecular formula
- C13H13BrN2O2
- Average molar mass
- 309.16 g/mol
- Monoisotopic mass
- 308.01604
Names & identifiers
- Preferred name
- 4-Bromo-2,6-diethyl-8-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
- IUPAC
- 4-bromo-2,6-diethyl-8-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
Names & synonyms
81534-88-5NSC3650954-bromo-2,6-diethyl-8-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazoleDTXSID10320827NSC-3650954-Bromo-2,6-diethyl-8-methylbenzo[1,2-d:4,5-d']bis[1,3]oxazole
Database identifiers
- CAS
81534-88-5- PubChem CID
- 339263
- DTXSID
DTXSID10320827
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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