2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole

C77H77N13O12S3 — CID 158232748

About 2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole

2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 158232748) has the molecular formula C77H77N13O12S3 and a molecular weight of 1472.74 g/mol. Its IUPAC name is 2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
• PubChem CID: 158232748
• Molecular Formula: C77H77N13O12S3
• Molecular Weight: 1472.74 g/mol
• Exact Mass: 1471.50
• IUPAC Name: 2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
• SMILES: Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1cc(-c2ccc(CO)cc2)no1.Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1cc(-c2ccc(OCCO)cc2)no1.Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1nnc(-c2ccccc2)o1
• InChI: InChI=1S/C27H28N4O5S.C26H26N4O4S.C24H23N5O3S/c1-18-27(26-15-24(31-36-26)19-4-8-21(9-5-19)35-14-13-32)30-25(17-29-18)20-6-10-22(11-7-20)37(33,34)23-3-2-12-28-16-23;1-17-26(25-13-23(30-34-25)19-6-4-18(16-31)5-7-19)29-24(15-28-17)20-8-10-21(11-9-20)35(32,33)22-3-2-12-27-14-22;1-16-22(24-29-28-23(32-24)18-6-3-2-4-7-18)27-21(15-26-16)17-9-11-19(12-10-17)33(30,31)20-8-5-13-25-14-20/h4-11,15,17,23,28,32H,2-3,12-14,16H2,1H3;4-11,13,15,22,27,31H,2-3,12,14,16H2,1H3;2-4,6-7,9-12,15,20,25H,5,8,13-14H2,1H3
• InChIKey: GEOUQFXBAZZCJW-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 356.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1472.74
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?

The IUPAC name of 2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole (CID 158232748) is 2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole.

What is the SMILES notation for 2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?

The canonical SMILES for 2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole is Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1cc(-c2ccc(CO)cc2)no1.Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1cc(-c2ccc(OCCO)cc2)no1.Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1nnc(-c2ccccc2)o1.

What is the InChIKey of 2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?

The InChIKey is GEOUQFXBAZZCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5S.C26H26N4O4S.C24H23N5O3S/c1-18-27(26-15-24(31-36-26)19-4-8-21(9-5-19)35-14-13-32)30-25(17-29-18)20-6-10-22(11-7-20)37(33,34)23-3-2-12-28-16-23;1-17-26(25-13-23(30-34-25)19-6-4-18(16-31)5-7-19)29-24(15-28-17)20-8-10-21(11-9-20)35(32,33)22-3-2-12-27-14-22;1-16-22(24-29-28-23(32-24)18-6-3-2-4-7-18)27-21(15-26-16)17-9-11-19(12-10-17)33(30,31)20-8-5-13-25-14-20/h4-11,15,17,23,28,32H,2-3,12-14,16H2,1H3;4-11,13,15,22,27,31H,2-3,12,14,16H2,1H3;2-4,6-7,9-12,15,20,25H,5,8,13-14H2,1H3.

What are the key properties of 2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?

2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 1472.74 g/mol, XLogP of 11.16, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenoxy]ethanol;[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanol;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 158232748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).