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

C23H27N5O3S — CID 161228678

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

[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen (PubChem CID 161228678) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is [3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen.

Molecular Properties

• Compound Name: [3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
• PubChem CID: 161228678
• Molecular Formula: C23H27N5O3S
• Molecular Weight: 453.57 g/mol
• Exact Mass: 453.18
• IUPAC Name: [3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
• SMILES: Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2cccc(CN)c2)o1.[H][H].[H][H]
• InChI: InChI=1S/C23H23N5O3S.2H2/c1-14(2)32(29,30)19-9-7-17(8-10-19)20-13-25-15(3)21(26-20)23-28-27-22(31-23)18-6-4-5-16(11-18)12-24;;/h4-11,13-14H,12,24H2,1-3H3;2*1H
• InChIKey: UYLPWBHGDZNPLI-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 124.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.57
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen (CID 161228678) is [3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen.

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

The canonical SMILES for [3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen is Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2cccc(CN)c2)o1.[H][H].[H][H].

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

The InChIKey is UYLPWBHGDZNPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S.2H2/c1-14(2)32(29,30)19-9-7-17(8-10-19)20-13-25-15(3)21(26-20)23-28-27-22(31-23)18-6-4-5-16(11-18)12-24;;/h4-11,13-14H,12,24H2,1-3H3;2*1H.

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

[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen has a molecular weight of 453.57 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen is sourced from PubChem (CID 161228678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).