4-(Azepan-1-yl)-1-(2,5-diphenyl-1,3-oxazol-4-yl)pyrimidin-2-one
Basic information
- CAS
6649-30-5- Standard SMILES
O=c1nc(N2CCCCCC2)ccn1-c1nc(-c2ccccc2)oc1-c1ccccc1- InChIKey
AVZGEVBFMDJPHE-UHFFFAOYSA-N- Molecular formula
- C25H24N4O2
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.18992602
Names & identifiers
- Preferred name
- 4-(Azepan-1-yl)-1-(2,5-diphenyl-1,3-oxazol-4-yl)pyrimidin-2-one
- IUPAC
- 4-(azepan-1-yl)-1-(2,5-diphenyl-1,3-oxazol-4-yl)pyrimidin-2-one
Names & synonyms
6649-30-54-(azepan-1-yl)-1-(2,5-diphenyl-1,3-oxazol-4-yl)pyrimidin-2-oneDTXSID00411490AKOS0244257874-(1-azepanyl)-1-(2,5-diphenyl-1,3-oxazol-4-yl)-2(1H)-pyrimidinone4-(Azepan-1-yl)-1-(2,5-diphenyl-1,3-oxazol-4-yl)pyrimidin-2(1H)-one
Database identifiers
- CAS
6649-30-5- PubChem CID
- 5226829
- DTXSID
DTXSID00411490
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 673
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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