5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

C102H111F5N24O12S4 — CID 158243924

About 5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 158243924) has the molecular formula C102H111F5N24O12S4 and a molecular weight of 2088.42 g/mol. Its IUPAC name is 5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
• PubChem CID: 158243924
• Molecular Formula: C102H111F5N24O12S4
• Molecular Weight: 2088.42 g/mol
• Exact Mass: 2086.76
• IUPAC Name: 5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
• SMILES: CCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC(C)CF)cc4)o3)n2)cc1.CCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNCC(C)F)cc4)o3)n2)cc1.CCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNCCF)cc4)o3)n2)cc1.CCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNCCF)cc4F)o3)n2)cc1
• InChI: InChI=1S/2C26H29FN6O3S.C25H26F2N6O3S.C25H27FN6O3S/c1-4-17(3)37(34,35)21-11-9-19(10-12-21)22-15-30-24(28)23(31-22)26-33-32-25(36-26)20-7-5-18(6-8-20)14-29-13-16(2)27;1-4-17(3)37(34,35)21-11-9-19(10-12-21)22-15-30-24(28)23(31-22)26-33-32-25(36-26)20-7-5-18(6-8-20)14-29-16(2)13-27;1-3-15(2)37(34,35)18-7-5-17(6-8-18)21-14-30-23(28)22(31-21)25-33-32-24(36-25)19-9-4-16(12-20(19)27)13-29-11-10-26;1-3-16(2)36(33,34)20-10-8-18(9-11-20)21-15-29-23(27)22(30-21)25-32-31-24(35-25)19-6-4-17(5-7-19)14-28-13-12-26/h2*5-12,15-17,29H,4,13-14H2,1-3H3,(H2,28,30);4-9,12,14-15,29H,3,10-11,13H2,1-2H3,(H2,28,30);4-11,15-16,28H,3,12-14H2,1-2H3,(H2,27,29)
• InChIKey: GFWUMCFUZINVMH-UHFFFAOYSA-N
• XLogP: 17.21
• TPSA: 547.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 40
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2088.42
LogP ≤ 5	17.21
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

The IUPAC name of 5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 158243924) is 5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

What is the SMILES notation for 5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

The canonical SMILES for 5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is CCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC(C)CF)cc4)o3)n2)cc1.CCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNCC(C)F)cc4)o3)n2)cc1.CCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNCCF)cc4)o3)n2)cc1.CCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNCCF)cc4F)o3)n2)cc1.

What is the InChIKey of 5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

The InChIKey is GFWUMCFUZINVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H29FN6O3S.C25H26F2N6O3S.C25H27FN6O3S/c1-4-17(3)37(34,35)21-11-9-19(10-12-21)22-15-30-24(28)23(31-22)26-33-32-25(36-26)20-7-5-18(6-8-20)14-29-13-16(2)27;1-4-17(3)37(34,35)21-11-9-19(10-12-21)22-15-30-24(28)23(31-22)26-33-32-25(36-26)20-7-5-18(6-8-20)14-29-16(2)13-27;1-3-15(2)37(34,35)18-7-5-17(6-8-18)21-14-30-23(28)22(31-21)25-33-32-24(36-25)19-9-4-16(12-20(19)27)13-29-11-10-26;1-3-16(2)36(33,34)20-10-8-18(9-11-20)21-15-29-23(27)22(30-21)25-32-31-24(35-25)19-6-4-17(5-7-19)14-28-13-12-26/h2*5-12,15-17,29H,4,13-14H2,1-3H3,(H2,28,30);4-9,12,14-15,29H,3,10-11,13H2,1-2H3,(H2,28,30);4-11,15-16,28H,3,12-14H2,1-2H3,(H2,27,29).

What are the key properties of 5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 2088.42 g/mol, XLogP of 17.21, 40 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-(4-butan-2-ylsulfonylphenyl)-3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 158243924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).