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

C15H15N5O3S — CID 122644861

IUPAC5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cncc(-c3nnc(N)o3)n2)cc1
InChIInChI=1S/C15H15N5O3S/c1-9(2)24(21,22)11-5-3-10(4-6-11)12-7-17-8-13(18-12)14-19-20-15(16)23-14/h3-9H,1-2H3,(H2,16,20)
InChIKeySEMZXYYVCKJHKW-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.96
Rot. Bonds4

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

5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 122644861) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine
PubChem CID122644861
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cncc(-c3nnc(N)o3)n2)cc1
InChIInChI=1S/C15H15N5O3S/c1-9(2)24(21,22)11-5-3-10(4-6-11)12-7-17-8-13(18-12)14-19-20-15(16)23-14/h3-9H,1-2H3,(H2,16,20)
InChIKeySEMZXYYVCKJHKW-UHFFFAOYSA-N
XLogP1.96
TPSA124.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine (CID 122644861) is 5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cncc(-c3nnc(N)o3)n2)cc1.
What is the InChIKey of 5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SEMZXYYVCKJHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-9(2)24(21,22)11-5-3-10(4-6-11)12-7-17-8-13(18-12)14-19-20-15(16)23-14/h3-9H,1-2H3,(H2,16,20).
What are the key properties of 5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine?
5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 345.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 122644861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).