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Basic information
- Standard SMILES
COC(=O)C(NC(=O)c1ccc(-c2nc3cc(C#N)cc(C(C)C)c3o2)cc1)C1CCNCC1- InChIKey
RCLLAEFHBIEXQD-UHFFFAOYSA-N- Molecular formula
- C26H28N4O4
- Average molar mass
- 460.5 g/mol
Names & identifiers
- Preferred name
- Methyl {[4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzoyl]amino}(piperidin-4-yl)acetate
- IUPAC
- methyl 2-[[4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzoyl]amino]-2-piperidin-4-ylacetate
Names & synonyms
SCHEMBL13082829RCLLAEFHBIEXQD-UHFFFAOYSA-NMethyl {[4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzoyl]amino}(piperidin-4-yl)acetate
Database identifiers
- PubChem CID
- 25169587
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 766
Related reactions
2 records
Compound notes
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