potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride

C97H96BrClF11KN8O22 — CID 160574927

About potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride

potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride (PubChem CID 160574927) has the molecular formula C97H96BrClF11KN8O22 and a molecular weight of 2090.31 g/mol. Its IUPAC name is potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride.

Molecular Properties

• Compound Name: potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride
• PubChem CID: 160574927
• Molecular Formula: C97H96BrClF11KN8O22
• Molecular Weight: 2090.31 g/mol
• Exact Mass: 2087.50
• IUPAC Name: potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride
• SMILES: CC(C)Oc1cc(-c2nc(CBr)co2)ccc1OC(F)F.CC(C)Oc1cc(-c2nc(CN)co2)ccc1OC(F)F.CC(C)Oc1cc(-c2nc(CN3C(=O)c4ccccc4C3=O)co2)ccc1OC(F)F.CC(C)Oc1cc(-c2nc(CO)co2)ccc1OC(F)F.CCOc1ccccc1C(=O)CCc1coc(-c2ccc(OC(F)F)c(OC(C)C)c2)n1.Cl.O=C1[N-]C(=O)c2ccccc21.[2H]CF.[K+]
• InChI: InChI=1S/C24H25F2NO5.C22H18F2N2O5.C14H14BrF2NO3.C14H16F2N2O3.C14H15F2NO4.C8H5NO2.CH3F.ClH.K/c1-4-29-20-8-6-5-7-18(20)19(28)11-10-17-14-30-23(27-17)16-9-12-21(32-24(25)26)22(13-16)31-15(2)3;1-12(2)30-18-9-13(7-8-17(18)31-22(23)24)19-25-14(11-29-19)10-26-20(27)15-5-3-4-6-16(15)21(26)28;1-8(2)20-12-5-9(3-4-11(12)21-14(16)17)13-18-10(6-15)7-19-13;1-8(2)20-12-5-9(3-4-11(12)21-14(15)16)13-18-10(6-17)7-19-13;1-8(2)20-12-5-9(3-4-11(12)21-14(15)16)13-17-10(6-18)7-19-13;10-7-5-3-1-2-4-6(5)8(11)9-7;1-2;;/h5-9,12-15,24H,4,10-11H2,1-3H3;3-9,11-12,22H,10H2,1-2H3;3-5,7-8,14H,6H2,1-2H3;3-5,7-8,14H,6,17H2,1-2H3;3-5,7-8,14,18H,6H2,1-2H3;1-4H,(H,9,10,11);1H3;1H;/q;;;;;;;;+1/p-1/i;;;;;;1D
• InChIKey: VJNZIXDQFIEDAI-UMMGPYKBSA-M
• XLogP: 20.87
• TPSA: 380.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 36
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2090.31
LogP ≤ 5	20.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride?

The IUPAC name of potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride (CID 160574927) is potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride.

What is the SMILES notation for potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride?

The canonical SMILES for potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride is CC(C)Oc1cc(-c2nc(CBr)co2)ccc1OC(F)F.CC(C)Oc1cc(-c2nc(CN)co2)ccc1OC(F)F.CC(C)Oc1cc(-c2nc(CN3C(=O)c4ccccc4C3=O)co2)ccc1OC(F)F.CC(C)Oc1cc(-c2nc(CO)co2)ccc1OC(F)F.CCOc1ccccc1C(=O)CCc1coc(-c2ccc(OC(F)F)c(OC(C)C)c2)n1.Cl.O=C1[N-]C(=O)c2ccccc21.[2H]CF.[K+].

What is the InChIKey of potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride?

The InChIKey is VJNZIXDQFIEDAI-UMMGPYKBSA-M. The full InChI is InChI=1S/C24H25F2NO5.C22H18F2N2O5.C14H14BrF2NO3.C14H16F2N2O3.C14H15F2NO4.C8H5NO2.CH3F.ClH.K/c1-4-29-20-8-6-5-7-18(20)19(28)11-10-17-14-30-23(27-17)16-9-12-21(32-24(25)26)22(13-16)31-15(2)3;1-12(2)30-18-9-13(7-8-17(18)31-22(23)24)19-25-14(11-29-19)10-26-20(27)15-5-3-4-6-16(15)21(26)28;1-8(2)20-12-5-9(3-4-11(12)21-14(16)17)13-18-10(6-15)7-19-13;1-8(2)20-12-5-9(3-4-11(12)21-14(15)16)13-18-10(6-17)7-19-13;1-8(2)20-12-5-9(3-4-11(12)21-14(15)16)13-17-10(6-18)7-19-13;10-7-5-3-1-2-4-6(5)8(11)9-7;1-2;;/h5-9,12-15,24H,4,10-11H2,1-3H3;3-9,11-12,22H,10H2,1-2H3;3-5,7-8,14H,6H2,1-2H3;3-5,7-8,14H,6,17H2,1-2H3;3-5,7-8,14,18H,6H2,1-2H3;1-4H,(H,9,10,11);1H3;1H;/q;;;;;;;;+1/p-1/i;;;;;;1D;;.

What are the key properties of potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride?

potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride has a molecular weight of 2090.31 g/mol, XLogP of 20.87, 36 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride is sourced from PubChem (CID 160574927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).