Urea, (5-(2-hydroxy-1,1-dimethylethyl)-3-isoxazolyl)-
Basic information
- CAS
86860-68-6- Standard SMILES
CC(C)(CO)c1cc(NC(N)=O)no1- InChIKey
FUVSTTQMUPAZON-UHFFFAOYSA-N- Molecular formula
- C8H13N3O3
- Average molar mass
- 199.21 g/mol
- Monoisotopic mass
- 199.09569129
Names & identifiers
- Preferred name
- Urea, (5-(2-hydroxy-1,1-dimethylethyl)-3-isoxazolyl)-
- IUPAC
- [5-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
Names & synonyms
Urea, (5-(2-hydroxy-1,1-dimethylethyl)-3-isoxazolyl)-86860-68-6DTXSID40235879RefChem:387115DTXCID201583703-[5-(1,1-dimethyl-2-hydroxyethyl)-3-isoxazolyl]ureaN-[5-(1-Hydroxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
Database identifiers
- CAS
86860-68-6- PubChem CID
- 159018
- DTXSID
DTXSID40235879- Nikkaji
- J431.541C
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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