Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC=C(c2cnc(N)c(-c3noc(-c4ccccc4)n3)n2)CC1- InChIKey
JBNWHSQUQRSSFI-UHFFFAOYSA-N- Molecular formula
- C22H24N6O3
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.19098865
Names & identifiers
- Preferred name
- tert-butyl 4-(5-amino-6-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrazin-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate
- IUPAC
- tert-butyl 4-[5-amino-6-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
SCHEMBL615898JBNWHSQUQRSSFI-UHFFFAOYSA-Ntert-butyl 4-(5-amino-6-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrazin-2-yl)-5,6-dihydropyridine-1(2H)-carboxylatetert-butyl 4-[5-amino-6-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
Database identifiers
- PubChem CID
- 66744707
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 660
Related reactions
3 records
Compound notes
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