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

C16H15N5O5S — CID 59471715

IUPAC5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole-2-carboxylic acid
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(C(=O)O)o3)n2)cc1
InChIInChI=1S/C16H15N5O5S/c1-8(2)27(24,25)10-5-3-9(4-6-10)11-7-18-13(17)12(19-11)14-20-21-15(26-14)16(22)23/h3-8H,1-2H3,(H2,17,18)(H,22,23)
InChIKeyGKTVKRPEHKMVDL-UHFFFAOYSA-N
MW389.39 g/mol
LogP1.66
Rot. Bonds5

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

5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 59471715) has the molecular formula C16H15N5O5S and a molecular weight of 389.39 g/mol. Its IUPAC name is 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID59471715
Molecular FormulaC16H15N5O5S
Molecular Weight389.39 g/mol
Exact Mass389.08
IUPAC Name5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole-2-carboxylic acid
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(C(=O)O)o3)n2)cc1
InChIInChI=1S/C16H15N5O5S/c1-8(2)27(24,25)10-5-3-9(4-6-10)11-7-18-13(17)12(19-11)14-20-21-15(26-14)16(22)23/h3-8H,1-2H3,(H2,17,18)(H,22,23)
InChIKeyGKTVKRPEHKMVDL-UHFFFAOYSA-N
XLogP1.66
TPSA162.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole-2-carboxylic acid (CID 59471715) is 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole-2-carboxylic acid is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(C(=O)O)o3)n2)cc1.
What is the InChIKey of 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is GKTVKRPEHKMVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O5S/c1-8(2)27(24,25)10-5-3-9(4-6-10)11-7-18-13(17)12(19-11)14-20-21-15(26-14)16(22)23/h3-8H,1-2H3,(H2,17,18)(H,22,23).
What are the key properties of 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole-2-carboxylic acid?
5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 389.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 59471715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).