Basic information
- CAS
55808-34-9- Standard SMILES
CCCCN(C)C(=O)Nc1cc(C(C)C)on1- InChIKey
CXQCTGJBJFRKHK-UHFFFAOYSA-N- Molecular formula
- C12H21N3O2
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.16337692
Names & identifiers
- Preferred name
- N-Butyl-N-methyl-N'-[5-(propan-2-yl)-1,2-oxazol-3-yl]urea
- IUPAC
- 1-butyl-1-methyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
Names & synonyms
55808-34-9SCHEMBL11230617DTXSID40608448N-Butyl-N-methyl-N'-[5-(propan-2-yl)-1,2-oxazol-3-yl]urea
Database identifiers
- CAS
55808-34-9- PubChem CID
- 20534530
- DTXSID
DTXSID40608448
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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