Basic information
- Standard SMILES
Cc1c(-c2cccc([N+](=O)[O-])c2)c(N2CC[C@H](N(C)C)C2)c2oc(C(C)(C)C)nc2c1C#N- InChIKey
HFEJWIIWNRPZKD-SFHVURJKSA-N- Molecular formula
- C25H29N5O3
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- 2-tert-butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-(3-nitrophenyl)-1,3-benzoxazole-4-carbonitrile
- IUPAC
- 2-tert-butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-(3-nitrophenyl)-1,3-benzoxazole-4-carbonitrile
Names & synonyms
SCHEMBL3293605HFEJWIIWNRPZKD-SFHVURJKSA-N2-tert-butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-(3-nitrophenyl)-1,3-benzoxazole-4-carbonitrile
Database identifiers
- PubChem CID
- 68584419
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 768
Related reactions
2 records
Linked notes
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