Basic information
- CAS
122686-30-0- Standard SMILES
CC(C)(C)Nc1nc(C#N)co1- InChIKey
RVPHJQAUSHVMJP-UHFFFAOYSA-N- Molecular formula
- C8H11N3O
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.09021198
Names & identifiers
- Preferred name
- 2-[(1,1-Dimethylethyl)amino]-4-oxazolecarbonitrile
- IUPAC
- 2-(tert-butylamino)-1,3-oxazole-4-carbonitrile
Names & synonyms
122686-30-02-[(1,1-Dimethylethyl)amino]-4-oxazolecarbonitrile2-((1,1-Dimethylethyl)amino)-4-oxazolecarbonitrileRefChem:2491012-(tert-Butylamino)oxazole-4-carbonitrileDTXSID2012266012-(tert-Butylamino)-1,3-oxazole-4-carbonitrile
Database identifiers
- CAS
122686-30-0- PubChem CID
- 14341237
- DTXSID
DTXSID201226601
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…