7-(Methylsulfanyl)-2-phenyl[1,3]oxazolo[5,4-d]pyrimidine
Basic information
- CAS
33360-26-8- Standard SMILES
CSc1ncnc2oc(-c3ccccc3)nc12- InChIKey
GRRJNJWGBIGIMB-UHFFFAOYSA-N- Molecular formula
- C12H9N3OS
- Average molar mass
- 243.29 g/mol
- Monoisotopic mass
- 243.04663309
Names & identifiers
- Preferred name
- 7-(Methylsulfanyl)-2-phenyl[1,3]oxazolo[5,4-d]pyrimidine
- IUPAC
- 7-methylsulfanyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine
Names & synonyms
33360-26-87-(Methylthio)-2-phenyloxazolo[5,4-d]pyrimidine7-(methylsulfanyl)-2-phenyl[1,3]oxazolo[5,4-d]pyrimidineNSC137483DTXSID00300537NSC-137483
Database identifiers
- CAS
33360-26-8- PubChem CID
- 283171
- DTXSID
DTXSID00300537
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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