2-[[4-[(3-Oxo-1,2-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazol-3-one
Basic information
- CAS
80688-69-3- Standard SMILES
O=c1c2ccccc2on1CN1CCN(Cn2oc3ccccc3c2=O)CC1- InChIKey
UOSQHOWAAKTNMN-UHFFFAOYSA-N- Molecular formula
- C20H20N4O4
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.14845513
Names & identifiers
- Preferred name
- 2-[[4-[(3-Oxo-1,2-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazol-3-one
- IUPAC
- 2-[[4-[(3-oxo-1,2-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazol-3-one
Names & synonyms
NSC35152680688-69-3DTXSID10319872NSC-3515262,2'-[Piperazine-1,4-diylbis(methylene)]di(1,2-benzoxazol-3(2H)-one)
Database identifiers
- CAS
80688-69-3- PubChem CID
- 336609
- DTXSID
DTXSID10319872
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
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Compound notes
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