2-(4-(Pyridin-2-yl)but-3-ynyl)benzo[d]oxazole
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Basic information
- Standard SMILES
C(#Cc1ccccn1)CCc1nc2ccccc2o1- InChIKey
XPJBJRIOCZKXHN-UHFFFAOYSA-N- Molecular formula
- C16H12N2O
- Average molar mass
- 248.28 g/mol
Names & identifiers
- Preferred name
- 2-(4-(Pyridin-2-yl)but-3-ynyl)benzo[d]oxazole
- IUPAC
- 2-(4-pyridin-2-ylbut-3-ynyl)-1,3-benzoxazole
Names & synonyms
SCHEMBL103136XPJBJRIOCZKXHN-UHFFFAOYSA-N2-(4-(Pyridin-2-yl)but-3-ynyl)benzo[d]oxazole
Database identifiers
- PubChem CID
- 11637383
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Related reactions
7 records
Compound notes
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