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

C24H25N5O2S — CID 135270145

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

3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine (PubChem CID 135270145) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine
• PubChem CID: 135270145
• Molecular Formula: C24H25N5O2S
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.17
• IUPAC Name: 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine
• SMILES: CC(C)c1cccc(-c2nnc(-c3nc(-c4ccc(S(=O)C(C)C)cc4)cnc3N)o2)c1
• InChI: InChI=1S/C24H25N5O2S/c1-14(2)17-6-5-7-18(12-17)23-28-29-24(31-23)21-22(25)26-13-20(27-21)16-8-10-19(11-9-16)32(30)15(3)4/h5-15H,1-4H3,(H2,25,26)
• InChIKey: BOPFELUSSJKHCI-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 107.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine?

The IUPAC name of 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine (CID 135270145) is 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine.

What is the SMILES notation for 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine?

The canonical SMILES for 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine is CC(C)c1cccc(-c2nnc(-c3nc(-c4ccc(S(=O)C(C)C)cc4)cnc3N)o2)c1.

What is the InChIKey of 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine?

The InChIKey is BOPFELUSSJKHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-14(2)17-6-5-7-18(12-17)23-28-29-24(31-23)21-22(25)26-13-20(27-21)16-8-10-19(11-9-16)32(30)15(3)4/h5-15H,1-4H3,(H2,25,26).

What are the key properties of 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine?

3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine has a molecular weight of 447.56 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine is sourced from PubChem (CID 135270145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).