4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen

C67H78N16O5S2 — CID 157255094

About 4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen

4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen (PubChem CID 157255094) has the molecular formula C67H78N16O5S2 and a molecular weight of 1251.60 g/mol. Its IUPAC name is 4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
• PubChem CID: 157255094
• Molecular Formula: C67H78N16O5S2
• Molecular Weight: 1251.60 g/mol
• Exact Mass: 1250.58
• IUPAC Name: 4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccnc(N)c4)o3)n2)cc1)N(C)C.CCCSc1ccccc1-c1cnc(C)c(-c2nnc(-c3ccccc3)o2)n1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CN)cc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H23N5O3S.C22H21N7O.C22H20N4OS.7H2/c1-14(2)32(29,30)19-10-8-17(9-11-19)20-13-25-15(3)21(26-20)23-28-27-22(31-23)18-6-4-16(12-24)5-7-18;1-13-20(22-28-27-21(30-22)17-9-10-24-19(23)11-17)26-18(12-25-13)16-7-5-15(6-8-16)14(2)29(3)4;1-3-13-28-19-12-8-7-11-17(19)18-14-23-15(2)20(24-18)22-26-25-21(27-22)16-9-5-4-6-10-16;;;;;;;/h4-11,13-14H,12,24H2,1-3H3;5-12H,2H2,1,3-4H3,(H2,23,24);4-12,14H,3,13H2,1-2H3;7*1H
• InChIKey: AWUJEBZUJXXWEF-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 296.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1251.60
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The IUPAC name of 4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen (CID 157255094) is 4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen.

What is the SMILES notation for 4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The canonical SMILES for 4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccnc(N)c4)o3)n2)cc1)N(C)C.CCCSc1ccccc1-c1cnc(C)c(-c2nnc(-c3ccccc3)o2)n1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CN)cc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The InChIKey is AWUJEBZUJXXWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S.C22H21N7O.C22H20N4OS.7H2/c1-14(2)32(29,30)19-10-8-17(9-11-19)20-13-25-15(3)21(26-20)23-28-27-22(31-23)18-6-4-16(12-24)5-7-18;1-13-20(22-28-27-21(30-22)17-9-10-24-19(23)11-17)26-18(12-25-13)16-7-5-15(6-8-16)14(2)29(3)4;1-3-13-28-19-12-8-7-11-17(19)18-14-23-15(2)20(24-18)22-26-25-21(27-22)16-9-5-4-6-10-16;;;;;;;/h4-11,13-14H,12,24H2,1-3H3;5-12H,2H2,1,3-4H3,(H2,23,24);4-12,14H,3,13H2,1-2H3;7*1H.

What are the key properties of 4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen has a molecular weight of 1251.60 g/mol, XLogP of 14.88, 17 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;2-[3-methyl-6-(2-propylsulfanylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen is sourced from PubChem (CID 157255094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).