Basic information
- Standard SMILES
COc1cccc(-c2c(C)c(C#N)c3nc(C(C)(C)C)oc3c2N2CCC(N(C)C)C2)c1- InChIKey
JNZDODXOLRAINM-UHFFFAOYSA-N- Molecular formula
- C26H32N4O2
- Average molar mass
- 432.6 g/mol
Names & identifiers
- Preferred name
- 2-Tert-butyl-7-[3-(dimethylamino)pyrrolidin-1-yl]-6-(3-methoxyphenyl)-5-methyl-1,3-benzoxazole-4-carbonitrile
- IUPAC
- 2-tert-butyl-7-[3-(dimethylamino)pyrrolidin-1-yl]-6-(3-methoxyphenyl)-5-methyl-1,3-benzoxazole-4-carbonitrile
Database identifiers
- PubChem CID
- 77526467
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 698
Related reactions
2 records
Compound notes
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