Basic information
- Standard SMILES
C=Cc1ccccc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1- InChIKey
NKGNGXVFMLQZQE-UHFFFAOYSA-N- Molecular formula
- C23H20N6O2
- Average molar mass
- 412.4 g/mol
Names & identifiers
- Preferred name
- 4-(5-amino-6-(5-(2-vinylphenyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-N,N-dimethylbenzamide
- IUPAC
- 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
Names & synonyms
SCHEMBL2510583CHEMBL5959222NKGNGXVFMLQZQE-UHFFFAOYSA-NBDBM420570US10479784, Compound IA-774-(5-amino-6-(5-(2-vinylphenyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-N,N-dimethylbenzamide4-[5-amino-6-[5-(2-vinylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethyl-benzamide
Database identifiers
- PubChem CID
- 59472158
- ChEMBL
CHEMBL5959222
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 623
Related reactions
4 records
Compound notes
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