5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen

C67H75ClN16O9S3 — CID 157172596

About 5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen

5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen (PubChem CID 157172596) has the molecular formula C67H75ClN16O9S3 and a molecular weight of 1380.09 g/mol. Its IUPAC name is 5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen
• PubChem CID: 157172596
• Molecular Formula: C67H75ClN16O9S3
• Molecular Weight: 1380.09 g/mol
• Exact Mass: 1378.48
• IUPAC Name: 5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen
• SMILES: CCCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4Cl)cnc3N)o2)cc1.CCCc1ccc(-c2nnc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)o2)cc1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(NC2CCNCC2)o1.[H][H].[H][H]
• InChI: InChI=1S/C24H24ClN5O3S.C22H21N5O3S.C21H26N6O3S.2H2/c1-4-5-15-6-8-16(9-7-15)23-29-30-24(33-23)21-22(26)27-13-20(28-21)18-11-10-17(12-19(18)25)34(31,32)14(2)3;1-3-4-14-5-7-16(8-6-14)21-26-27-22(30-21)19-20(23)24-13-18(25-19)15-9-11-17(12-10-15)31(2,28)29;1-13(2)31(28,29)17-6-4-15(5-7-17)18-12-23-14(3)19(25-18)20-26-27-21(30-20)24-16-8-10-22-11-9-16;;/h6-14H,4-5H2,1-3H3,(H2,26,27);5-13H,3-4H2,1-2H3,(H2,23,24);4-7,12-13,16,22H,8-11H2,1-3H3,(H,24,27);2*1H
• InChIKey: ANQLKOIDWFFNAX-UHFFFAOYSA-N
• XLogP: 12.37
• TPSA: 372.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1380.09
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen?

The IUPAC name of 5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen (CID 157172596) is 5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen.

What is the SMILES notation for 5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen?

The canonical SMILES for 5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen is CCCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4Cl)cnc3N)o2)cc1.CCCc1ccc(-c2nnc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)o2)cc1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(NC2CCNCC2)o1.[H][H].[H][H].

What is the InChIKey of 5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen?

The InChIKey is ANQLKOIDWFFNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3S.C22H21N5O3S.C21H26N6O3S.2H2/c1-4-5-15-6-8-16(9-7-15)23-29-30-24(33-23)21-22(26)27-13-20(28-21)18-11-10-17(12-19(18)25)34(31,32)14(2)3;1-3-4-14-5-7-16(8-6-14)21-26-27-22(30-21)19-20(23)24-13-18(25-19)15-9-11-17(12-10-15)31(2,28)29;1-13(2)31(28,29)17-6-4-15(5-7-17)18-12-23-14(3)19(25-18)20-26-27-21(30-20)24-16-8-10-22-11-9-16;;/h6-14H,4-5H2,1-3H3,(H2,26,27);5-13H,3-4H2,1-2H3,(H2,23,24);4-7,12-13,16,22H,8-11H2,1-3H3,(H,24,27);2*1H.

What are the key properties of 5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen?

5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen has a molecular weight of 1380.09 g/mol, XLogP of 12.37, 19 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloro-4-propan-2-ylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-piperidin-4-yl-1,3,4-oxadiazol-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen is sourced from PubChem (CID 157172596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).