2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid

C17H17N5O5S — CID 59472012

About 2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid

2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid (PubChem CID 59472012) has the molecular formula C17H17N5O5S and a molecular weight of 403.42 g/mol. Its IUPAC name is 2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid
• PubChem CID: 59472012
• Molecular Formula: C17H17N5O5S
• Molecular Weight: 403.42 g/mol
• Exact Mass: 403.10
• IUPAC Name: 2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(CC(=O)O)o3)n2)cc1
• InChI: InChI=1S/C17H17N5O5S/c1-9(2)28(25,26)11-5-3-10(4-6-11)12-8-19-16(18)15(20-12)17-22-21-13(27-17)7-14(23)24/h3-6,8-9H,7H2,1-2H3,(H2,18,19)(H,23,24)
• InChIKey: MXGZSPZHWGGVND-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 162.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.42
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid?

The IUPAC name of 2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid (CID 59472012) is 2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid.

What is the SMILES notation for 2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid?

The canonical SMILES for 2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(CC(=O)O)o3)n2)cc1.

What is the InChIKey of 2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid?

The InChIKey is MXGZSPZHWGGVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O5S/c1-9(2)28(25,26)11-5-3-10(4-6-11)12-8-19-16(18)15(20-12)17-22-21-13(27-17)7-14(23)24/h3-6,8-9H,7H2,1-2H3,(H2,18,19)(H,23,24).

What are the key properties of 2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid?

2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid has a molecular weight of 403.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetic acid is sourced from PubChem (CID 59472012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).