[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-3-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen

C68H80N18O6S — CID 158468139

About [3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-3-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen

[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-3-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen (PubChem CID 158468139) has the molecular formula C68H80N18O6S and a molecular weight of 1277.57 g/mol. Its IUPAC name is [3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-3-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen.

Molecular Properties

• Compound Name: [3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-3-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen
• PubChem CID: 158468139
• Molecular Formula: C68H80N18O6S
• Molecular Weight: 1277.57 g/mol
• Exact Mass: 1276.62
• IUPAC Name: [3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-3-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccc(CO)c4)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccc(N3CCN(C)CC3)nc2)nc1-c1nnc(-c2ccccc2)o1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(NC2CCCNC2)o1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H23N5O2.C23H23N7O.C21H26N6O3S.4H2/c1-15-22(24-28-27-23(31-24)20-7-5-6-17(12-20)14-30)26-21(13-25-15)19-10-8-18(9-11-19)16(2)29(3)4;1-16-21(23-28-27-22(31-23)17-6-4-3-5-7-17)26-19(15-24-16)18-8-9-20(25-14-18)30-12-10-29(2)11-13-30;1-13(2)31(28,29)17-8-6-15(7-9-17)18-12-23-14(3)19(25-18)20-26-27-21(30-20)24-16-5-4-10-22-11-16;;;;/h5-13,30H,2,14H2,1,3-4H3;3-9,14-15H,10-13H2,1-2H3;6-9,12-13,16,22H,4-5,10-11H2,1-3H3,(H,24,27);4*1H
• InChIKey: HGAAYOXLHVOQFB-UHFFFAOYSA-N
• XLogP: 11.34
• TPSA: 295.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1277.57
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of [3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-3-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen (CID 158468139) is [3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-3-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen.

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

The canonical SMILES for [3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-3-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccc(CO)c4)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccc(N3CCN(C)CC3)nc2)nc1-c1nnc(-c2ccccc2)o1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(NC2CCCNC2)o1.[H][H].[H][H].[H][H].[H][H].

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

The InChIKey is HGAAYOXLHVOQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2.C23H23N7O.C21H26N6O3S.4H2/c1-15-22(24-28-27-23(31-24)20-7-5-6-17(12-20)14-30)26-21(13-25-15)19-10-8-18(9-11-19)16(2)29(3)4;1-16-21(23-28-27-22(31-23)17-6-4-3-5-7-17)26-19(15-24-16)18-8-9-20(25-14-18)30-12-10-29(2)11-13-30;1-13(2)31(28,29)17-8-6-15(7-9-17)18-12-23-14(3)19(25-18)20-26-27-21(30-20)24-16-5-4-10-22-11-16;;;;/h5-13,30H,2,14H2,1,3-4H3;3-9,14-15H,10-13H2,1-2H3;6-9,12-13,16,22H,4-5,10-11H2,1-3H3,(H,24,27);4*1H.

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

[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-3-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen has a molecular weight of 1277.57 g/mol, XLogP of 11.34, 16 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-3-yl-1,3,4-oxadiazol-2-amine;molecular hydrogen is sourced from PubChem (CID 158468139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).