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

C24H26N6O3S — CID 59472137

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

3-[5-[4-(2-aminopropan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 59472137) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 3-[5-[4-(2-aminopropan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[5-[4-(2-aminopropan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• PubChem CID: 59472137
• Molecular Formula: C24H26N6O3S
• Molecular Weight: 478.58 g/mol
• Exact Mass: 478.18
• IUPAC Name: 3-[5-[4-(2-aminopropan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(C(C)(C)N)cc4)o3)n2)cc1
• InChI: InChI=1S/C24H26N6O3S/c1-14(2)34(31,32)18-11-7-15(8-12-18)19-13-27-21(25)20(28-19)23-30-29-22(33-23)16-5-9-17(10-6-16)24(3,4)26/h5-14H,26H2,1-4H3,(H2,25,27)
• InChIKey: OZAJXQYSRUDVPX-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 150.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.58
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-[5-[4-(2-aminopropan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 59472137) is 3-[5-[4-(2-aminopropan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

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

The canonical SMILES for 3-[5-[4-(2-aminopropan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(C(C)(C)N)cc4)o3)n2)cc1.

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

The InChIKey is OZAJXQYSRUDVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-14(2)34(31,32)18-11-7-15(8-12-18)19-13-27-21(25)20(28-19)23-30-29-22(33-23)16-5-9-17(10-6-16)24(3,4)26/h5-14H,26H2,1-4H3,(H2,25,27).

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

3-[5-[4-(2-aminopropan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 478.58 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[4-(2-aminopropan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 59472137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).