tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C120H136BrN25O22S4 — CID 161196230

About tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 161196230) has the molecular formula C120H136BrN25O22S4 and a molecular weight of 2488.73 g/mol. Its IUPAC name is tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

• Compound Name: tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• PubChem CID: 161196230
• Molecular Formula: C120H136BrN25O22S4
• Molecular Weight: 2488.73 g/mol
• Exact Mass: 2485.84
• IUPAC Name: tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• SMILES: CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o2)c(C)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)o2)c(C)c1.COC(=O)c1nc(Br)cnc1N.Cc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o2)c(C)c1.Cc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)o2)c(C)c1
• InChI: InChI=1S/C34H42N6O7S.C33H39N5O7S.C24H26N6O3S.C23H23N5O3S.C6H6BrN3O2/c1-20(2)48(43,44)24-14-12-23(13-15-24)26-19-36-28(40(31(41)46-33(4,5)6)32(42)47-34(7,8)9)27(37-26)30-39-38-29(45-30)25-16-11-22(18-35-10)17-21(25)3;1-19(2)46(41,42)23-14-12-22(13-15-23)25-18-34-27(38(30(39)44-32(5,6)7)31(40)45-33(8,9)10)26(35-25)29-37-36-28(43-29)24-16-11-20(3)17-21(24)4;1-14(2)34(31,32)18-8-6-17(7-9-18)20-13-27-22(25)21(28-20)24-30-29-23(33-24)19-10-5-16(12-26-4)11-15(19)3;1-13(2)32(29,30)17-8-6-16(7-9-17)19-12-25-21(24)20(26-19)23-28-27-22(31-23)18-10-5-14(3)11-15(18)4;1-12-6(11)4-5(8)9-2-3(7)10-4/h11-17,19-20,35H,18H2,1-10H3;11-19H,1-10H3;5-11,13-14,26H,12H2,1-4H3,(H2,25,27);5-13H,1-4H3,(H2,24,25);2H,1H3,(H2,8,9)
• InChIKey: UUJKDVGFUHCJOJ-UHFFFAOYSA-N
• XLogP: 22.59
• TPSA: 661.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 45
• Rotatable Bonds: 27
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2488.73
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The IUPAC name of tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 161196230) is tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

What is the SMILES notation for tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The canonical SMILES for tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o2)c(C)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)o2)c(C)c1.COC(=O)c1nc(Br)cnc1N.Cc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o2)c(C)c1.Cc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)o2)c(C)c1.

What is the InChIKey of tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The InChIKey is UUJKDVGFUHCJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N6O7S.C33H39N5O7S.C24H26N6O3S.C23H23N5O3S.C6H6BrN3O2/c1-20(2)48(43,44)24-14-12-23(13-15-24)26-19-36-28(40(31(41)46-33(4,5)6)32(42)47-34(7,8)9)27(37-26)30-39-38-29(45-30)25-16-11-22(18-35-10)17-21(25)3;1-19(2)46(41,42)23-14-12-22(13-15-23)25-18-34-27(38(30(39)44-32(5,6)7)31(40)45-33(8,9)10)26(35-25)29-37-36-28(43-29)24-16-11-20(3)17-21(24)4;1-14(2)34(31,32)18-8-6-17(7-9-18)20-13-27-22(25)21(28-20)24-30-29-23(33-24)19-10-5-16(12-26-4)11-15(19)3;1-13(2)32(29,30)17-8-6-16(7-9-17)19-12-25-21(24)20(26-19)23-28-27-22(31-23)18-10-5-14(3)11-15(18)4;1-12-6(11)4-5(8)9-2-3(7)10-4/h11-17,19-20,35H,18H2,1-10H3;11-19H,1-10H3;5-11,13-14,26H,12H2,1-4H3,(H2,25,27);5-13H,1-4H3,(H2,24,25);2H,1H3,(H2,8,9).

What are the key properties of tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 2488.73 g/mol, XLogP of 22.59, 27 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 161196230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).