Basic information
- Standard SMILES
Cc1c(-c2ccccc2)c(N2CCC(N(C)C)C2)c2oc(-c3cccnc3)nc2c1C#N- InChIKey
CQMODAANWCLRKM-UHFFFAOYSA-N- Molecular formula
- C26H25N5O
- Average molar mass
- 423.5 g/mol
Names & identifiers
- Preferred name
- 7-[3-(Dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-2-pyridin-3-yl-1,3-benzoxazole-4-carbonitrile
- IUPAC
- 7-[3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-2-pyridin-3-yl-1,3-benzoxazole-4-carbonitrile
Database identifiers
- PubChem CID
- 75605183
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 685
Related reactions
1 records
Compound notes
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