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

C102H103F5N24O16S4 — CID 159128765

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

3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine (PubChem CID 159128765) has the molecular formula C102H103F5N24O16S4 and a molecular weight of 2144.36 g/mol. Its IUPAC name is 3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine
• PubChem CID: 159128765
• Molecular Formula: C102H103F5N24O16S4
• Molecular Weight: 2144.36 g/mol
• Exact Mass: 2142.68
• IUPAC Name: 3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine
• SMILES: CC(CF)NCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C5CCOC5)cc4)cnc3N)o2)cc1.CC(F)CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C5CCOC5)cc4)cnc3N)o2)cc1.Nc1ncc(-c2ccc(S(=O)(=O)C3CCOC3)cc2)nc1-c1nnc(-c2ccc(CNCCF)cc2)o1.Nc1ncc(-c2ccc(S(=O)(=O)C3CCOC3)cc2)nc1-c1nnc(-c2ccc(CNCCF)cc2F)o1
• InChI: InChI=1S/2C26H27FN6O4S.C25H24F2N6O4S.C25H25FN6O4S/c1-16(27)12-29-13-17-2-4-19(5-3-17)25-32-33-26(37-25)23-24(28)30-14-22(31-23)18-6-8-20(9-7-18)38(34,35)21-10-11-36-15-21;1-16(12-27)29-13-17-2-4-19(5-3-17)25-32-33-26(37-25)23-24(28)30-14-22(31-23)18-6-8-20(9-7-18)38(34,35)21-10-11-36-15-21;26-8-9-29-12-15-1-6-19(20(27)11-15)24-32-33-25(37-24)22-23(28)30-13-21(31-22)16-2-4-17(5-3-16)38(34,35)18-7-10-36-14-18;26-10-11-28-13-16-1-3-18(4-2-16)24-31-32-25(36-24)22-23(27)29-14-21(30-22)17-5-7-19(8-6-17)37(33,34)20-9-12-35-15-20/h2*2-9,14,16,21,29H,10-13,15H2,1H3,(H2,28,30);1-6,11,13,18,29H,7-10,12,14H2,(H2,28,30);1-8,14,20,28H,9-13,15H2,(H2,27,29)
• InChIKey: KGPOYOIFYQFWFG-UHFFFAOYSA-N
• XLogP: 13.17
• TPSA: 584.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 36
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2144.36
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine (CID 159128765) is 3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine.

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

The canonical SMILES for 3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine is CC(CF)NCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C5CCOC5)cc4)cnc3N)o2)cc1.CC(F)CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C5CCOC5)cc4)cnc3N)o2)cc1.Nc1ncc(-c2ccc(S(=O)(=O)C3CCOC3)cc2)nc1-c1nnc(-c2ccc(CNCCF)cc2)o1.Nc1ncc(-c2ccc(S(=O)(=O)C3CCOC3)cc2)nc1-c1nnc(-c2ccc(CNCCF)cc2F)o1.

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

The InChIKey is KGPOYOIFYQFWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H27FN6O4S.C25H24F2N6O4S.C25H25FN6O4S/c1-16(27)12-29-13-17-2-4-19(5-3-17)25-32-33-26(37-25)23-24(28)30-14-22(31-23)18-6-8-20(9-7-18)38(34,35)21-10-11-36-15-21;1-16(12-27)29-13-17-2-4-19(5-3-17)25-32-33-26(37-25)23-24(28)30-14-22(31-23)18-6-8-20(9-7-18)38(34,35)21-10-11-36-15-21;26-8-9-29-12-15-1-6-19(20(27)11-15)24-32-33-25(37-24)22-23(28)30-13-21(31-22)16-2-4-17(5-3-16)38(34,35)18-7-10-36-14-18;26-10-11-28-13-16-1-3-18(4-2-16)24-31-32-25(36-24)22-23(27)29-14-21(30-22)17-5-7-19(8-6-17)37(33,34)20-9-12-35-15-20/h2*2-9,14,16,21,29H,10-13,15H2,1H3,(H2,28,30);1-6,11,13,18,29H,7-10,12,14H2,(H2,28,30);1-8,14,20,28H,9-13,15H2,(H2,27,29).

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

3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine has a molecular weight of 2144.36 g/mol, XLogP of 13.17, 36 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine;3-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 159128765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).