Basic information
- CAS
353769-13-8- Standard SMILES
CCOc1ccccc1C1C(C#N)=C(N)Nc2onc(-c3ccccc3)c21- InChIKey
XYTDLUGDHRJOKJ-UHFFFAOYSA-N- Molecular formula
- C21H18N4O2
- Average molar mass
- 358.4 g/mol
Names & identifiers
- Preferred name
- 6-Amino-4-(2-ethoxyphenyl)-3-phenyl-4,7-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile
- IUPAC
- 6-amino-4-(2-ethoxyphenyl)-3-phenyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile
- English name
- 6-amino-4-(2-ethoxyphenyl)-3-phenyl-4,7-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile
- Molecular formula
- C21H18N4O2
- Molecular weight
- 358.39322
Names & synonyms
6-amino-4-(2-ethoxyphenyl)-3-phenyl-4,7-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile6204-89-3Oprea1_396327CHEMBL1426255DTXSID90977595HMS2169K21HMS3315A14CCG-24432STK958107ZINC00669306AKOS001698160AKOS022090133
Show more names
6-amino-4-(2-ethoxyphenyl)-3-phenyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile1164472-79-0AK-968/12686288SR-01000113696SR-01000113696-16-Amino-4-(2-ethoxyphenyl)-3-phenyl-2,4-dihydro[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile6-amino-4-(2-ethoxyphenyl)-3-phenyl-4,7-dihydro[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile353769-13-8
Database identifiers
- CAS
353769-13-8- DTXSID
DTXSID90977595- ChEMBL
CHEMBL1426255
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 607
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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