2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen

C65H73N15O8S3 — CID 158375941

About 2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen

2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen (PubChem CID 158375941) has the molecular formula C65H73N15O8S3 and a molecular weight of 1288.60 g/mol. Its IUPAC name is 2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen
• PubChem CID: 158375941
• Molecular Formula: C65H73N15O8S3
• Molecular Weight: 1288.60 g/mol
• Exact Mass: 1287.49
• IUPAC Name: 2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen
• SMILES: CCS(=O)c1ccccc1-c1cnc(C)c(-c2nnc(-c3ccccc3)o2)n1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(C(=O)NCC2CCCNC2)o1.Cc1ncc(-c2ccccc2S(C)=O)nc1-c1nnc(-c2cccc(CN)c2)o1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H28N6O4S.C21H19N5O2S.C21H18N4O2S.4H2/c1-14(2)34(31,32)18-8-6-17(7-9-18)19-13-25-15(3)20(27-19)22-28-29-23(33-22)21(30)26-12-16-5-4-10-24-11-16;1-13-19(21-26-25-20(28-21)15-7-5-6-14(10-15)11-22)24-17(12-23-13)16-8-3-4-9-18(16)29(2)27;1-3-28(26)18-12-8-7-11-16(18)17-13-22-14(2)19(23-17)21-25-24-20(27-21)15-9-5-4-6-10-15;;;;/h6-9,13-14,16,24H,4-5,10-12H2,1-3H3,(H,26,30);3-10,12H,11,22H2,1-2H3;4-13H,3H2,1-2H3;4*1H
• InChIKey: GVEQVDAQOSAVCL-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 329.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1288.60
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen?

The IUPAC name of 2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen (CID 158375941) is 2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen.

What is the SMILES notation for 2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen?

The canonical SMILES for 2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen is CCS(=O)c1ccccc1-c1cnc(C)c(-c2nnc(-c3ccccc3)o2)n1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(C(=O)NCC2CCCNC2)o1.Cc1ncc(-c2ccccc2S(C)=O)nc1-c1nnc(-c2cccc(CN)c2)o1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen?

The InChIKey is GVEQVDAQOSAVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4S.C21H19N5O2S.C21H18N4O2S.4H2/c1-14(2)34(31,32)18-8-6-17(7-9-18)19-13-25-15(3)20(27-19)22-28-29-23(33-22)21(30)26-12-16-5-4-10-24-11-16;1-13-19(21-26-25-20(28-21)15-7-5-6-14(10-15)11-22)24-17(12-23-13)16-8-3-4-9-18(16)29(2)27;1-3-28(26)18-12-8-7-11-16(18)17-13-22-14(2)19(23-17)21-25-24-20(27-21)15-9-5-4-6-10-15;;;;/h6-9,13-14,16,24H,4-5,10-12H2,1-3H3,(H,26,30);3-10,12H,11,22H2,1-2H3;4-13H,3H2,1-2H3;4*1H.

What are the key properties of 2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen?

2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen has a molecular weight of 1288.60 g/mol, XLogP of 11.06, 17 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-ethylsulfinylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-(piperidin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 158375941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).