3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole
Basic information
- CAS
321571-03-3- Standard SMILES
Fc1ccc(-c2onc3ccc(-c4cc[nH]n4)cc23)cc1- InChIKey
CJZJMJOIVKUBPP-UHFFFAOYSA-N- Molecular formula
- C16H10FN3O
- Average molar mass
- 279.27 g/mol
- Monoisotopic mass
- 279.08079011
Names & identifiers
- Preferred name
- 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole
- IUPAC
- 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole
- English name
- 3-(4-FLUOROPHENYL)-5-(1H-PYRAZOL-3-YL)-2,1-BENZISOXAZOLE
- Molecular formula
- C16H10FN3O
- Molecular weight
- 279.27
Names & synonyms
321571-03-33-(4-fluorophenyl)-5-(1H-pyrazol-3-yl)-2,1-benzoxazole3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazolebenzisoxazole, 1Bionet2_000804CHEMBL561916BDBM332023-(4-fluorophenyl)-5-(1H-pyrazol-3-yl)-2,1-benzisoxazoleHMS1366E12AKOS0050880853J-9142,1-Benzisoxazole, 3-(4-fluorophenyl)-5-(1H-pyrazol-3-yl)-
Database identifiers
- CAS
321571-03-3- PubChem CID
- 1474300
- ChEMBL
CHEMBL561916
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
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