N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen

C67H79N15O8S2 — CID 158830708

About N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen

N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen (PubChem CID 158830708) has the molecular formula C67H79N15O8S2 and a molecular weight of 1286.60 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen
• PubChem CID: 158830708
• Molecular Formula: C67H79N15O8S2
• Molecular Weight: 1286.60 g/mol
• Exact Mass: 1285.57
• IUPAC Name: N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccc(C)c4)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CO)cc2)o1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(N2CCNCC2)o1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H23N5O.C23H22N4O4S.C20H24N6O3S.5H2/c1-15-7-6-8-20(13-15)23-27-28-24(30-23)22-16(2)25-14-21(26-22)19-11-9-18(10-12-19)17(3)29(4)5;1-14(2)32(29,30)19-10-8-17(9-11-19)20-12-24-15(3)21(25-20)23-27-26-22(31-23)18-6-4-16(13-28)5-7-18;1-13(2)30(27,28)16-6-4-15(5-7-16)17-12-22-14(3)18(23-17)19-24-25-20(29-19)26-10-8-21-9-11-26;;;;;/h6-14H,3H2,1-2,4-5H3;4-12,14,28H,13H2,1-3H3;4-7,12-13,21H,8-11H2,1-3H3;5*1H
• InChIKey: IWZVNIREMPLSHI-UHFFFAOYSA-N
• XLogP: 12.18
• TPSA: 301.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1286.60
LogP ≤ 5	12.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen?

The IUPAC name of N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen (CID 158830708) is N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen.

What is the SMILES notation for N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen?

The canonical SMILES for N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccc(C)c4)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CO)cc2)o1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(N2CCNCC2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen?

The InChIKey is IWZVNIREMPLSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O.C23H22N4O4S.C20H24N6O3S.5H2/c1-15-7-6-8-20(13-15)23-27-28-24(30-23)22-16(2)25-14-21(26-22)19-11-9-18(10-12-19)17(3)29(4)5;1-14(2)32(29,30)19-10-8-17(9-11-19)20-12-24-15(3)21(25-20)23-27-26-22(31-23)18-6-4-16(13-28)5-7-18;1-13(2)30(27,28)16-6-4-15(5-7-16)17-12-22-14(3)18(23-17)19-24-25-20(29-19)26-10-8-21-9-11-26;;;;;/h6-14H,3H2,1-2,4-5H3;4-12,14,28H,13H2,1-3H3;4-7,12-13,21H,8-11H2,1-3H3;5*1H.

What are the key properties of N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen?

N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen has a molecular weight of 1286.60 g/mol, XLogP of 12.18, 16 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;2-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-5-piperazin-1-yl-1,3,4-oxadiazole;molecular hydrogen is sourced from PubChem (CID 158830708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).