2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen

C18H25N5O3S — CID 159051269

About 2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen

2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen (PubChem CID 159051269) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen
• PubChem CID: 159051269
• Molecular Formula: C18H25N5O3S
• Molecular Weight: 391.50 g/mol
• Exact Mass: 391.17
• IUPAC Name: 2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen
• SMILES: Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(CCN)o1.[H][H].[H][H]
• InChI: InChI=1S/C18H21N5O3S.2H2/c1-11(2)27(24,25)14-6-4-13(5-7-14)15-10-20-12(3)17(21-15)18-23-22-16(26-18)8-9-19;;/h4-7,10-11H,8-9,19H2,1-3H3;2*1H
• InChIKey: JXHIGJKLMIRUOD-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 124.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.50
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen (CID 159051269) is 2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen.

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

The canonical SMILES for 2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen is Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(CCN)o1.[H][H].[H][H].

What is the InChIKey of 2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen?

The InChIKey is JXHIGJKLMIRUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S.2H2/c1-11(2)27(24,25)14-6-4-13(5-7-14)15-10-20-12(3)17(21-15)18-23-22-16(26-18)8-9-19;;/h4-7,10-11H,8-9,19H2,1-3H3;2*1H.

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

2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen has a molecular weight of 391.50 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen is sourced from PubChem (CID 159051269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).