5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-methylpropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

C103H110F8N24O12S4 — CID 158010452

About 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-methylpropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-methylpropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 158010452) has the molecular formula C103H110F8N24O12S4 and a molecular weight of 2156.42 g/mol. Its IUPAC name is 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-methylpropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-methylpropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
• PubChem CID: 158010452
• Molecular Formula: C103H110F8N24O12S4
• Molecular Weight: 2156.42 g/mol
• Exact Mass: 2154.75
• IUPAC Name: 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-methylpropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
• SMILES: CC(C)CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)CCF)cc4)cnc3N)o2)cc1.CC(CCF)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNCCF)cc4)o3)n2)cc1.CC(CCF)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNCCF)cc4F)o3)n2)cc1.CC(CF)NCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)CCF)cc4)cnc3N)o2)cc1
• InChI: InChI=1S/C27H31FN6O3S.C26H28F2N6O3S.C25H25F3N6O3S.C25H26F2N6O3S/c1-17(2)14-30-15-19-4-6-21(7-5-19)26-33-34-27(37-26)24-25(29)31-16-23(32-24)20-8-10-22(11-9-20)38(35,36)18(3)12-13-28;1-16(13-28)30-14-18-3-5-20(6-4-18)25-33-34-26(37-25)23-24(29)31-15-22(32-23)19-7-9-21(10-8-19)38(35,36)17(2)11-12-27;1-15(8-9-26)38(35,36)18-5-3-17(4-6-18)21-14-31-23(29)22(32-21)25-34-33-24(37-25)19-7-2-16(12-20(19)28)13-30-11-10-27;1-16(10-11-26)37(34,35)20-8-6-18(7-9-20)21-15-30-23(28)22(31-21)25-33-32-24(36-25)19-4-2-17(3-5-19)14-29-13-12-27/h4-11,16-18,30H,12-15H2,1-3H3,(H2,29,31);3-10,15-17,30H,11-14H2,1-2H3,(H2,29,31);2-7,12,14-15,30H,8-11,13H2,1H3,(H2,29,31);2-9,15-16,29H,10-14H2,1H3,(H2,28,30)
• InChIKey: FEUZFZFORJYYJH-UHFFFAOYSA-N
• XLogP: 17.31
• TPSA: 547.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 44
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2156.42
LogP ≤ 5	17.31
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-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-methylpropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

The IUPAC name of 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-methylpropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 158010452) is 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-methylpropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

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

The canonical SMILES for 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-methylpropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is CC(C)CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)CCF)cc4)cnc3N)o2)cc1.CC(CCF)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNCCF)cc4)o3)n2)cc1.CC(CCF)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNCCF)cc4F)o3)n2)cc1.CC(CF)NCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)CCF)cc4)cnc3N)o2)cc1.

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

The InChIKey is FEUZFZFORJYYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O3S.C26H28F2N6O3S.C25H25F3N6O3S.C25H26F2N6O3S/c1-17(2)14-30-15-19-4-6-21(7-5-19)26-33-34-27(37-26)24-25(29)31-16-23(32-24)20-8-10-22(11-9-20)38(35,36)18(3)12-13-28;1-16(13-28)30-14-18-3-5-20(6-4-18)25-33-34-26(37-25)23-24(29)31-15-22(32-23)19-7-9-21(10-8-19)38(35,36)17(2)11-12-27;1-15(8-9-26)38(35,36)18-5-3-17(4-6-18)21-14-31-23(29)22(32-21)25-34-33-24(37-25)19-7-2-16(12-20(19)28)13-30-11-10-27;1-16(10-11-26)37(34,35)20-8-6-18(7-9-20)21-15-30-23(28)22(31-21)25-33-32-24(36-25)19-4-2-17(3-5-19)14-29-13-12-27/h4-11,16-18,30H,12-15H2,1-3H3,(H2,29,31);3-10,15-17,30H,11-14H2,1-2H3,(H2,29,31);2-7,12,14-15,30H,8-11,13H2,1H3,(H2,29,31);2-9,15-16,29H,10-14H2,1H3,(H2,28,30).

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

5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-methylpropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 2156.42 g/mol, XLogP of 17.31, 44 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[5-[4-[(2-methylpropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 158010452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).