Basic information
- Standard SMILES
Clc1nccc(C#CCCc2nc3ccccc3o2)n1- InChIKey
DPXARCUWUFJCAI-UHFFFAOYSA-N- Molecular formula
- C15H10ClN3O
- Average molar mass
- 283.71 g/mol
Names & identifiers
- Preferred name
- 2-(4-(2-Chloropyrimidin-4-yl)but-3-ynyl)benzo[d]oxazole
- IUPAC
- 2-[4-(2-chloropyrimidin-4-yl)but-3-ynyl]-1,3-benzoxazole
Names & synonyms
SCHEMBL103987DPXARCUWUFJCAI-UHFFFAOYSA-N2-(4-(2-chloropyrimidin-4-yl)but-3-ynyl)benzo[d]oxazole
Database identifiers
- PubChem CID
- 11637749
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Related reactions
2 records
Compound notes
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