2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate

C66H43Cl9F9N15O14S — CID 158234061

About 2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate

2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate (PubChem CID 158234061) has the molecular formula C66H43Cl9F9N15O14S and a molecular weight of 1792.29 g/mol. Its IUPAC name is 2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate.

Molecular Properties

• Compound Name: 2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate
• PubChem CID: 158234061
• Molecular Formula: C66H43Cl9F9N15O14S
• Molecular Weight: 1792.29 g/mol
• Exact Mass: 1786.99
• IUPAC Name: 2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate
• SMILES: Cc1ccc(S(=O)(=O)OCC2COC(=O)N2)cc1.NC(CO)COc1cc(Cl)c(-c2nc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)no2)cc1Cl.O=C1NC(COc2cc(Cl)c(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2Cl)CO1.Oc1cc(Cl)c(-c2nc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)no2)cc1Cl
• InChI: InChI=1S/C20H11Cl3F3N5O4.C19H13Cl3F3N5O3.C16H6Cl3F3N4O2.C11H13NO5S/c21-11-3-15(33-6-9-7-34-19(32)27-9)12(22)2-10(11)18-29-16(30-35-18)14-5-31-4-8(20(24,25)26)1-13(23)17(31)28-14;20-11-3-15(32-7-9(26)6-31)12(21)2-10(11)18-28-16(29-33-18)14-5-30-4-8(19(23,24)25)1-13(22)17(30)27-14;17-8-3-12(27)9(18)2-7(8)15-24-13(25-28-15)11-5-26-4-6(16(20,21)22)1-10(19)14(26)23-11;1-8-2-4-10(5-3-8)18(14,15)17-7-9-6-16-11(13)12-9/h1-5,9H,6-7H2,(H,27,32);1-5,9,31H,6-7,26H2;1-5,27H;2-5,9H,6-7H2,1H3,(H,12,13)
• InChIKey: GESYETHIWUZKFD-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 373.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1792.29
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate?

The IUPAC name of 2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate (CID 158234061) is 2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate.

What is the SMILES notation for 2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate?

The canonical SMILES for 2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate is Cc1ccc(S(=O)(=O)OCC2COC(=O)N2)cc1.NC(CO)COc1cc(Cl)c(-c2nc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)no2)cc1Cl.O=C1NC(COc2cc(Cl)c(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2Cl)CO1.Oc1cc(Cl)c(-c2nc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)no2)cc1Cl.

What is the InChIKey of 2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate?

The InChIKey is GESYETHIWUZKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl3F3N5O4.C19H13Cl3F3N5O3.C16H6Cl3F3N4O2.C11H13NO5S/c21-11-3-15(33-6-9-7-34-19(32)27-9)12(22)2-10(11)18-29-16(30-35-18)14-5-31-4-8(20(24,25)26)1-13(23)17(31)28-14;20-11-3-15(32-7-9(26)6-31)12(21)2-10(11)18-28-16(29-33-18)14-5-30-4-8(19(23,24)25)1-13(22)17(30)27-14;17-8-3-12(27)9(18)2-7(8)15-24-13(25-28-15)11-5-26-4-6(16(20,21)22)1-10(19)14(26)23-11;1-8-2-4-10(5-3-8)18(14,15)17-7-9-6-16-11(13)12-9/h1-5,9H,6-7H2,(H,27,32);1-5,9,31H,6-7,26H2;1-5,27H;2-5,9H,6-7H2,1H3,(H,12,13).

What are the key properties of 2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate?

2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate has a molecular weight of 1792.29 g/mol, XLogP of 16.79, 17 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]propan-1-ol;2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol;4-[[2,5-dichloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,3-oxazolidin-2-one;(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate is sourced from PubChem (CID 158234061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).