4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide

C23H20N6O2 — CID 59472158

IUPAC4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESC=Cc1ccccc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1
InChIInChI=1S/C23H20N6O2/c1-4-14-7-5-6-8-17(14)21-27-28-22(31-21)19-20(24)25-13-18(26-19)15-9-11-16(12-10-15)23(30)29(2)3/h4-13H,1H2,2-3H3,(H2,24,25)
InChIKeyNKGNGXVFMLQZQE-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.79
Rot. Bonds5

About 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide

4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 59472158) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID59472158
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESC=Cc1ccccc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1
InChIInChI=1S/C23H20N6O2/c1-4-14-7-5-6-8-17(14)21-27-28-22(31-21)19-20(24)25-13-18(26-19)15-9-11-16(12-10-15)23(30)29(2)3/h4-13H,1H2,2-3H3,(H2,24,25)
InChIKeyNKGNGXVFMLQZQE-UHFFFAOYSA-N
XLogP3.79
TPSA111.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (CID 59472158) is 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is C=Cc1ccccc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1.
What is the InChIKey of 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is NKGNGXVFMLQZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-4-14-7-5-6-8-17(14)21-27-28-22(31-21)19-20(24)25-13-18(26-19)15-9-11-16(12-10-15)23(30)29(2)3/h4-13H,1H2,2-3H3,(H2,24,25).
What are the key properties of 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 412.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59472158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).