Basic information
- Standard SMILES
Cc1cc(Nc2cc(N[C@H](CC(C)C)C(N)=O)ccc2C#N)on1- InChIKey
LFOPWWAQMMQEQW-OAHLLOKOSA-N- Molecular formula
- C17H21N5O2
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- (R)-2-(4-cyano-3-(3-methylisoxazol-5-ylamino)phenylamino)-4-methylpentanamide
- IUPAC
- (2R)-2-[4-cyano-3-[(3-methyl-1,2-oxazol-5-yl)amino]anilino]-4-methylpentanamide
Names & synonyms
SCHEMBL2713907LFOPWWAQMMQEQW-OAHLLOKOSA-N(R)-2-(4-cyano-3-(3-methylisoxazol-5-ylamino)phenylamino)-4-methylpentanamide
Database identifiers
- PubChem CID
- 67508850
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 475
Related reactions
4 records
Linked notes
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