4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen

C64H52N16O4 — CID 157235037

About 4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen

4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen (PubChem CID 157235037) has the molecular formula C64H52N16O4 and a molecular weight of 1109.23 g/mol. Its IUPAC name is 4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
• PubChem CID: 157235037
• Molecular Formula: C64H52N16O4
• Molecular Weight: 1109.23 g/mol
• Exact Mass: 1108.44
• IUPAC Name: 4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
• SMILES: C#Cc1cccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)c1.C=Cc1ccccc1-c1cnc(C)c(-c2nnc(-c3ccccc3)o2)n1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(Nc4cccc(C#N)c4)o3)n2)cc1.[H][H].[H][H]
• InChI: InChI=1S/C22H18N8O2.C21H16N4O.C21H14N4O.2H2/c1-30(2)21(31)15-8-6-14(7-9-15)17-12-25-19(24)18(27-17)20-28-29-22(32-20)26-16-5-3-4-13(10-16)11-23;1-3-15-9-7-8-12-17(15)18-13-22-14(2)19(23-18)21-25-24-20(26-21)16-10-5-4-6-11-16;1-3-15-8-7-11-17(12-15)18-13-22-14(2)19(23-18)21-25-24-20(26-21)16-9-5-4-6-10-16;;/h3-10,12H,1-2H3,(H2,24,25)(H,26,29);3-13H,1H2,2H3;1,4-13H,2H3;2*1H
• InChIKey: AUNONNYNMCROQU-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 276.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1109.23
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The IUPAC name of 4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen (CID 157235037) is 4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen.

What is the SMILES notation for 4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The canonical SMILES for 4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen is C#Cc1cccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)c1.C=Cc1ccccc1-c1cnc(C)c(-c2nnc(-c3ccccc3)o2)n1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(Nc4cccc(C#N)c4)o3)n2)cc1.[H][H].[H][H].

What is the InChIKey of 4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The InChIKey is AUNONNYNMCROQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O2.C21H16N4O.C21H14N4O.2H2/c1-30(2)21(31)15-8-6-14(7-9-15)17-12-25-19(24)18(27-17)20-28-29-22(32-20)26-16-5-3-4-13(10-16)11-23;1-3-15-9-7-8-12-17(15)18-13-22-14(2)19(23-18)21-25-24-20(26-21)16-10-5-4-6-11-16;1-3-15-8-7-11-17(12-15)18-13-22-14(2)19(23-18)21-25-24-20(26-21)16-9-5-4-6-10-16;;/h3-10,12H,1-2H3,(H2,24,25)(H,26,29);3-13H,1H2,2H3;1,4-13H,2H3;2*1H.

What are the key properties of 4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen has a molecular weight of 1109.23 g/mol, XLogP of 12.55, 12 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-amino-6-[5-(3-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;2-[6-(2-ethenylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(3-ethynylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen is sourced from PubChem (CID 157235037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).