tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen

C79H94N16O8S — CID 158389566

About tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen

tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen (PubChem CID 158389566) has the molecular formula C79H94N16O8S and a molecular weight of 1427.79 g/mol. Its IUPAC name is tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen.

Molecular Properties

• Compound Name: tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen
• PubChem CID: 158389566
• Molecular Formula: C79H94N16O8S
• Molecular Weight: 1427.79 g/mol
• Exact Mass: 1426.72
• IUPAC Name: tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccc(CNC(=O)OC(C)(C)C)cc4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(NC4CCCCC4)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccccc2S(=O)CCCC(=O)OC(C)(C)C)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C29H32N6O3.C27H28N4O4S.C23H28N6O.3H2/c1-18-25(32-24(17-30-18)22-14-12-21(13-15-22)19(2)35(6)7)27-34-33-26(37-27)23-10-8-20(9-11-23)16-31-28(36)38-29(3,4)5;1-18-24(26-31-30-25(34-26)19-11-6-5-7-12-19)29-21(17-28-18)20-13-8-9-14-22(20)36(33)16-10-15-23(32)35-27(2,3)4;1-15-21(22-27-28-23(30-22)25-19-8-6-5-7-9-19)26-20(14-24-15)18-12-10-17(11-13-18)16(2)29(3)4;;;/h8-15,17H,2,16H2,1,3-7H3,(H,31,36);5-9,11-14,17H,10,15-16H2,1-4H3;10-14,19H,2,5-9H2,1,3-4H3,(H,25,28);3*1H
• InChIKey: GWUCAJOEABWSIY-UHFFFAOYSA-N
• XLogP: 16.64
• TPSA: 294.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.79
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen?

The IUPAC name of tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen (CID 158389566) is tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen.

What is the SMILES notation for tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen?

The canonical SMILES for tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccc(CNC(=O)OC(C)(C)C)cc4)o3)n2)cc1)N(C)C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(NC4CCCCC4)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccccc2S(=O)CCCC(=O)OC(C)(C)C)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].

What is the InChIKey of tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen?

The InChIKey is GWUCAJOEABWSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3.C27H28N4O4S.C23H28N6O.3H2/c1-18-25(32-24(17-30-18)22-14-12-21(13-15-22)19(2)35(6)7)27-34-33-26(37-27)23-10-8-20(9-11-23)16-31-28(36)38-29(3,4)5;1-18-24(26-31-30-25(34-26)19-11-6-5-7-12-19)29-21(17-28-18)20-13-8-9-14-22(20)36(33)16-10-15-23(32)35-27(2,3)4;1-15-21(22-27-28-23(30-22)25-19-8-6-5-7-9-19)26-20(14-24-15)18-12-10-17(11-13-18)16(2)29(3)4;;;/h8-15,17H,2,16H2,1,3-7H3,(H,31,36);5-9,11-14,17H,10,15-16H2,1-4H3;10-14,19H,2,5-9H2,1,3-4H3,(H,25,28);3*1H.

What are the key properties of tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen?

tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen has a molecular weight of 1427.79 g/mol, XLogP of 16.64, 21 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[4-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate;tert-butyl 4-[2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinylbutanoate;N-cyclohexyl-5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-amine;molecular hydrogen is sourced from PubChem (CID 158389566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).