2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

C70H71Br2N25O10S2 — CID 157185260

About 2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (PubChem CID 157185260) has the molecular formula C70H71Br2N25O10S2 and a molecular weight of 1646.44 g/mol. Its IUPAC name is 2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
• PubChem CID: 157185260
• Molecular Formula: C70H71Br2N25O10S2
• Molecular Weight: 1646.44 g/mol
• Exact Mass: 1643.36
• IUPAC Name: 2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
• SMILES: COC(=O)c1nccnc1N.CS(=O)(=O)CCN1CCN(c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)CC1.Cc1ncc(Br)nc1-c1nnc(-c2ccccc2)o1.Cc1ncc(N2CCN(CCS(C)(=O)=O)CC2)nc1-c1nnc(-c2ccccc2)o1.Nc1ncc(Br)nc1-c1nnc(-c2ccccc2)o1
• InChI: InChI=1S/C20H24N6O3S.C19H23N7O3S.C13H9BrN4O.C12H8BrN5O.C6H7N3O2/c1-15-18(20-24-23-19(29-20)16-6-4-3-5-7-16)22-17(14-21-15)26-10-8-25(9-11-26)12-13-30(2,27)28;1-30(27,28)12-11-25-7-9-26(10-8-25)15-13-21-17(20)16(22-15)19-24-23-18(29-19)14-5-3-2-4-6-14;1-8-11(16-10(14)7-15-8)13-18-17-12(19-13)9-5-3-2-4-6-9;13-8-6-15-10(14)9(16-8)12-18-17-11(19-12)7-4-2-1-3-5-7;1-11-6(10)4-5(7)9-3-2-8-4/h3-7,14H,8-13H2,1-2H3;2-6,13H,7-12H2,1H3,(H2,20,21);2-7H,1H3;1-6H,(H2,14,15);2-3H,1H3,(H2,7,9)
• InChIKey: APAUVLWKZDOHTD-UHFFFAOYSA-N
• XLogP: 8.26
• TPSA: 470.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1646.44
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The IUPAC name of 2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (CID 157185260) is 2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

What is the SMILES notation for 2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The canonical SMILES for 2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is COC(=O)c1nccnc1N.CS(=O)(=O)CCN1CCN(c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)CC1.Cc1ncc(Br)nc1-c1nnc(-c2ccccc2)o1.Cc1ncc(N2CCN(CCS(C)(=O)=O)CC2)nc1-c1nnc(-c2ccccc2)o1.Nc1ncc(Br)nc1-c1nnc(-c2ccccc2)o1.

What is the InChIKey of 2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The InChIKey is APAUVLWKZDOHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S.C19H23N7O3S.C13H9BrN4O.C12H8BrN5O.C6H7N3O2/c1-15-18(20-24-23-19(29-20)16-6-4-3-5-7-16)22-17(14-21-15)26-10-8-25(9-11-26)12-13-30(2,27)28;1-30(27,28)12-11-25-7-9-26(10-8-25)15-13-21-17(20)16(22-15)19-24-23-18(29-19)14-5-3-2-4-6-14;1-8-11(16-10(14)7-15-8)13-18-17-12(19-13)9-5-3-2-4-6-9;13-8-6-15-10(14)9(16-8)12-18-17-11(19-12)7-4-2-1-3-5-7;1-11-6(10)4-5(7)9-3-2-8-4/h3-7,14H,8-13H2,1-2H3;2-6,13H,7-12H2,1H3,(H2,20,21);2-7H,1H3;1-6H,(H2,14,15);2-3H,1H3,(H2,7,9).

What are the key properties of 2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine has a molecular weight of 1646.44 g/mol, XLogP of 8.26, 17 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-3-methylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole;5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;2-[3-methyl-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 157185260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).