Basic information
- CAS
5103-99-1- Standard SMILES
O=C(CCCl)Nc1ccc2oc(-c3cccnc3)nc2c1- InChIKey
GAHLBIYZYJQSJJ-UHFFFAOYSA-N- Molecular formula
- C15H12ClN3O2
- Average molar mass
- 301.73 g/mol
- Monoisotopic mass
- 301.0618043
Names & identifiers
- Preferred name
- 3-Chloro-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]propanamide
- IUPAC
- 3-chloro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide
Names & synonyms
5103-99-1DTXSID103896113-Chloro-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]propanamideAKOS000521139SR-01000357651SR-01000357651-1
Database identifiers
- CAS
5103-99-1- PubChem CID
- 3129786
- DTXSID
DTXSID10389611
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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