N-Butyl-N-methyl-N'-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea
Basic information
- CAS
55808-35-0- Standard SMILES
CCCCN(C)C(=O)Nc1cc(CC(C)C)on1- InChIKey
CXKCEQGDGNUDBK-UHFFFAOYSA-N- Molecular formula
- C13H23N3O2
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.17902698
Names & identifiers
- Preferred name
- N-Butyl-N-methyl-N'-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea
- IUPAC
- 1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea
Names & synonyms
55808-35-0DTXSID30787413N-Butyl-N-methyl-N'-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea
Database identifiers
- CAS
55808-35-0- PubChem CID
- 71363909
- DTXSID
DTXSID30787413
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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