Basic information
- Standard SMILES
Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)c2oc(-c3ccccc3O)nc2c1C#N- InChIKey
UCUVZQXJRLAUOO-IBGZPJMESA-N- Molecular formula
- C27H26N4O2
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.20557608
Names & identifiers
- Preferred name
- 7-[(3S)-3-(Dimethylamino)pyrrolidin-1-yl]-2-(2-hydroxyphenyl)-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
- IUPAC
- 7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-(2-hydroxyphenyl)-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
Names & synonyms
SCHEMBL3295850UCUVZQXJRLAUOO-IBGZPJMESA-N7-[(3S)-3-(Dimethylamino)pyrrolidin-1-yl]-2-(2-hydroxyphenyl)-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
Database identifiers
- PubChem CID
- 136379936
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 716
Related reactions
1 records
Compound notes
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