Basic information
- CAS
92789-16-7- Standard SMILES
CCN(CC)CC1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)O1- InChIKey
HJORXTHPGVRDBO-UHFFFAOYSA-N- Molecular formula
- C13H18N4O5
- Average molar mass
- 310.31 g/mol
- Monoisotopic mass
- 310.12771969
Names & identifiers
- Preferred name
- 5-[(Diethylamino)methyl]-3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazolidin-2-one
- IUPAC
- 5-(diethylaminomethyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
Names & synonyms
MLS002667575CHEMBL1903337DTXSID40918958HMS3079I145-[(diethylamino)methyl]-3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazolidin-2-oneSMR001557340
Database identifiers
- CAS
92789-16-7- PubChem CID
- 243449
- DTXSID
DTXSID40918958- ChEMBL
CHEMBL1903337
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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