Basic information
- CAS
431984-00-8- Standard SMILES
O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccco1- InChIKey
HNDQZDSKUFOCIZ-UHFFFAOYSA-N- Molecular formula
- C17H11N3O3
- Average molar mass
- 305.29 g/mol
- Monoisotopic mass
- 305.08004122
Names & identifiers
- Preferred name
- N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
- IUPAC
- N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
Names & synonyms
N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]furan-2-carboxamideN-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamideCambridge id 6782206TimTec1_007818Oprea1_662344MLS001223273CHEMBL1465044DTXSID801329752HMS1556D08HMS2910O18Furan-2-carboxylic acid (2-pyridin-4-yl-benzooxazol-5-yl)-amideHTS13686
Show more names
AKOS000472712IDI1_033472431984-00-8SMR000612111ST50021423AB00119031-012-furyl-N-(2-(4-pyridyl)benzoxazol-5-yl)carboxamideN-[2-(4-pyridinyl)-1,3-benzoxazol-5-yl]-2-furamide
Database identifiers
- CAS
431984-00-8- PubChem CID
- 960374
- DTXSID
DTXSID801329752- ChEMBL
CHEMBL1465044
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Experimental & physicochemical properties
Solubility12.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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