Basic information
- CAS
2295-47-8- Standard SMILES
c1ccc2oc(-c3ccncc3)nc2c1- InChIKey
NSTYHODPDRPTRO-UHFFFAOYSA-N- Molecular formula
- C12H8N2O
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.06366288
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-(Pyridin-4-yl)-1,3-benzoxazole
- IUPAC
- 2-pyridin-4-yl-1,3-benzoxazole
- English name
- R-754
- Molecular formula
- C12H8N2O
- Molecular weight
- 196.2
Names & synonyms
2-(pyridin-4-yl)-1,3-benzoxazoleRefChem:909453BENZOXAZOLE, 2-(4-PYRIDYL)-2295-47-82-(4-Pyridyl)benzoxazole2-pyridin-4-yl-1,3-benzoxazole2-(4-pyridinyl)benzoxazole2-(pyridin-4-yl)benzoxazoleR.754BRN 06102894-(Benzoxazol-2-yl)pyridineSCHEMBL2183409
Show more names
R-754Benzoxazole, 2-(4-pyridinyl)-
SCHEMBL4544648SCHEMBL9590894CHEMBL2269947DTXSID70177495NSTYHODPDRPTRO-UHFFFAOYSA-N2-(4-pyridinyl)-1,3-benzoxazoleSTL196748AKOS015953294
Database identifiers
- CAS
2295-47-8- PubChem CID
- 16804
- DTXSID
DTXSID70177495- ChEMBL
CHEMBL2269947- Nikkaji
- J41.876E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
9 records
Compound notes
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