Basic information
- Standard SMILES
Cc1c(-c2cccc(N)c2)c(N2CCC(N(C)C)C2)c2oc(C(C)(C)C)nc2c1C#N- InChIKey
PUPYYYZAJMGTQW-UHFFFAOYSA-N- Molecular formula
- C25H31N5O
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.25286063
Names & identifiers
- Preferred name
- 6-(3-Aminophenyl)-2-tert-butyl-7-[3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-1,3-benzoxazole-4-carbonitrile
- IUPAC
- 6-(3-aminophenyl)-2-tert-butyl-7-[3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-1,3-benzoxazole-4-carbonitrile
Database identifiers
- PubChem CID
- 77526461
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 681
Related reactions
1 records
Compound notes
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