N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen

C68H72Cl2N18O3 — CID 161434580

About N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen

N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen (PubChem CID 161434580) has the molecular formula C68H72Cl2N18O3 and a molecular weight of 1260.35 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen
• PubChem CID: 161434580
• Molecular Formula: C68H72Cl2N18O3
• Molecular Weight: 1260.35 g/mol
• Exact Mass: 1258.54
• IUPAC Name: N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccnc4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(Nc4ccc(Cl)cc4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(Nc4cccc(Cl)c4)o3)n2)cc1)N(C)C.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/2C23H21ClN6O.C22H20N6O.5H2/c1-14-21(22-28-29-23(31-22)26-19-11-9-18(24)10-12-19)27-20(13-25-14)17-7-5-16(6-8-17)15(2)30(3)4;1-14-21(22-28-29-23(31-22)26-19-7-5-6-18(24)12-19)27-20(13-25-14)17-10-8-16(9-11-17)15(2)30(3)4;1-14-20(22-27-26-21(29-22)18-6-5-11-23-12-18)25-19(13-24-14)17-9-7-16(8-10-17)15(2)28(3)4;;;;;/h2*5-13H,2H2,1,3-4H3,(H,26,29);5-13H,2H2,1,3-4H3;5*1H
• InChIKey: VYLYLOSJYXLBAD-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 240.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1260.35
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen?

The IUPAC name of N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen (CID 161434580) is N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen.

What is the SMILES notation for N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen?

The canonical SMILES for N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccnc4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(Nc4ccc(Cl)cc4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(Nc4cccc(Cl)c4)o3)n2)cc1)N(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen?

The InChIKey is VYLYLOSJYXLBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H21ClN6O.C22H20N6O.5H2/c1-14-21(22-28-29-23(31-22)26-19-11-9-18(24)10-12-19)27-20(13-25-14)17-7-5-16(6-8-17)15(2)30(3)4;1-14-21(22-28-29-23(31-22)26-19-7-5-6-18(24)12-19)27-20(13-25-14)17-10-8-16(9-11-17)15(2)30(3)4;1-14-20(22-27-26-21(29-22)18-6-5-11-23-12-18)25-19(13-24-14)17-9-7-16(8-10-17)15(2)28(3)4;;;;;/h2*5-13H,2H2,1,3-4H3,(H,26,29);5-13H,2H2,1,3-4H3;5*1H.

What are the key properties of N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen?

N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen has a molecular weight of 1260.35 g/mol, XLogP of 16.19, 17 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N-(4-chlorophenyl)-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;N,N-dimethyl-1-[4-[5-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;molecular hydrogen is sourced from PubChem (CID 161434580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).