Basic information
- CAS
61636-21-3- Standard SMILES
O=C1OCC2=Nc3cccc4cccc(c34)N12- InChIKey
IWLBTKROGNSERQ-UHFFFAOYSA-N- Molecular formula
- C13H8N2O2
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.0585775
Names & identifiers
- Preferred name
- 8H-(1,3)Oxazolo(3,4-a)perimidin-10-one
- IUPAC
- 8H-[1,3]oxazolo[3,4-a]perimidin-10-one
Names & synonyms
8H-(1,3)Oxazolo(3,4-a)perimidin-10-oneNG9L9MU46W61636-21-3NSC 353492NSC-3534928H-[1,3]Oxazolo[3,4-a]perimidin-10-oneDTXSID902106518H,10H-OXAZOLO(3,4-A)PERIMIDIN-10-ONERefChem:107397CHEMBL-1988447DTXCID20133142NSC353492
Show more names
UNII-NG9L9MU46WMLS003171126CHEMBL19884478H-oxazolo[3,4-a]perimidin-10-oneNCI60_003171SMR0018750348H,10H-[1,3]Oxazolo[3,4-a]perimidin-10-one
Database identifiers
- CAS
61636-21-3- PubChem CID
- 337010
- DTXSID
DTXSID90210651- ChEMBL
CHEMBL1988447- UNII
- NG9L9MU46W
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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