(3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine

C68H72N16O8S2 — CID 158401595

About (3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine

(3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine (PubChem CID 158401595) has the molecular formula C68H72N16O8S2 and a molecular weight of 1305.56 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine.

Molecular Properties

• Compound Name: (3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine
• PubChem CID: 158401595
• Molecular Formula: C68H72N16O8S2
• Molecular Weight: 1305.56 g/mol
• Exact Mass: 1304.52
• IUPAC Name: (3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine
• SMILES: Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(C(=O)N2CCC(N)C2)o1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2C#N)nc1-c1nnc(-c2ccccc2)o1.Nc1ncc(-c2ccccc2-c2ccccc2)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H17N5O.C23H19N5O3S.C21H24N6O4S.6H2/c25-22-21(24-29-28-23(30-24)17-11-5-2-6-12-17)27-20(15-26-22)19-14-8-7-13-18(19)16-9-3-1-4-10-16;1-14(2)32(29,30)18-9-10-19(17(11-18)12-24)20-13-25-15(3)21(26-20)23-28-27-22(31-23)16-7-5-4-6-8-16;1-12(2)32(29,30)16-6-4-14(5-7-16)17-10-23-13(3)18(24-17)19-25-26-20(31-19)21(28)27-9-8-15(22)11-27;;;;;;/h1-15H,(H2,25,26);4-11,13-14H,1-3H3;4-7,10,12,15H,8-9,11,22H2,1-3H3;6*1H
• InChIKey: GYEALXRDNNACGA-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 358.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1305.56
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine?

The IUPAC name of (3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine (CID 158401595) is (3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine.

What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine?

The canonical SMILES for (3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine is Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(C(=O)N2CCC(N)C2)o1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2C#N)nc1-c1nnc(-c2ccccc2)o1.Nc1ncc(-c2ccccc2-c2ccccc2)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of (3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine?

The InChIKey is GYEALXRDNNACGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O.C23H19N5O3S.C21H24N6O4S.6H2/c25-22-21(24-29-28-23(30-24)17-11-5-2-6-12-17)27-20(15-26-22)19-14-8-7-13-18(19)16-9-3-1-4-10-16;1-14(2)32(29,30)18-9-10-19(17(11-18)12-24)20-13-25-15(3)21(26-20)23-28-27-22(31-23)16-7-5-4-6-8-16;1-12(2)32(29,30)16-6-4-14(5-7-16)17-10-23-13(3)18(24-17)19-25-26-20(31-19)21(28)27-9-8-15(22)11-27;;;;;;/h1-15H,(H2,25,26);4-11,13-14H,1-3H3;4-7,10,12,15H,8-9,11,22H2,1-3H3;6*1H.

What are the key properties of (3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine?

(3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine has a molecular weight of 1305.56 g/mol, XLogP of 12.67, 14 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopyrrolidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine is sourced from PubChem (CID 158401595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).