Basic information
- CAS
30345-99-4- Standard SMILES
O=c1[nH]c(=O)n2c(c1-c1ccccc1)OC(CBr)C2- InChIKey
AVRYMROWZGXKDF-UHFFFAOYSA-N- Molecular formula
- C13H11BrN2O3
- Average molar mass
- 323.14 g/mol
- Monoisotopic mass
- 321.9953
Names & identifiers
- Preferred name
- 2-(Bromomethyl)-8-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidine-5,7-dione
- IUPAC
- 2-(bromomethyl)-8-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidine-5,7-dione
Names & synonyms
MLS00311550630345-99-4NSC280801CHEMBL1878167DTXSID40314133NSC-280801SMR001831082DS-0089882-(Bromomethyl)-8-phenyl-2,3-dihydro-5H-[1,3]oxazolo[3,2-c]pyrimidine-5,7(6H)-dione5H-OXAZOLO[3,2-C]PYRIMIDINE-5,7(6H)-DIONE,2-(BROMOMETHYL)-2,3-DIHYDRO-8-PHENYL-
Database identifiers
- CAS
30345-99-4- PubChem CID
- 322697
- DTXSID
DTXSID40314133- ChEMBL
CHEMBL1878167
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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