potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane

C48H45BBrF5KN10O11+ — CID 161339847

About potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane

potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane (PubChem CID 161339847) has the molecular formula C48H45BBrF5KN10O11+ and a molecular weight of 1162.75 g/mol. Its IUPAC name is potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane.

Molecular Properties

• Compound Name: potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane
• PubChem CID: 161339847
• Molecular Formula: C48H45BBrF5KN10O11+
• Molecular Weight: 1162.75 g/mol
• Exact Mass: 1161.21
• IUPAC Name: potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane
• SMILES: C=Cc1cc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)no1.C=Cc1cc(C(=O)O)no1.C=Cc1cc(C(=O)OCC)no1.FB(F)F.Nc1cnn(Cc2cccc(F)c2)c1.[CH2+]COC(=O)c1cc(Br)on1.[H][C-]=C.[K+]
• InChI: InChI=1S/C16H13FN4O2.C10H10FN3.C8H9NO3.C6H5BrNO3.C6H5NO3.C2H3.BF3.K/c1-2-14-7-15(20-23-14)16(22)19-13-8-18-21(10-13)9-11-4-3-5-12(17)6-11;11-9-3-1-2-8(4-9)6-14-7-10(12)5-13-14;1-3-6-5-7(9-12-6)8(10)11-4-2;1-2-10-6(9)4-3-5(7)11-8-4;1-2-4-3-5(6(8)9)7-10-4;1-2;2-1(3)4;/h2-8,10H,1,9H2,(H,19,22);1-5,7H,6,12H2;3,5H,1,4H2,2H3;3H,1-2H2;2-3H,1H2,(H,8,9);1H,2H2;;/q;;;+1;;-1;;+1
• InChIKey: BEUKYKYISXRLHY-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 284.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1162.75
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane?

The IUPAC name of potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane (CID 161339847) is potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane.

What is the SMILES notation for potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane?

The canonical SMILES for potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane is C=Cc1cc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)no1.C=Cc1cc(C(=O)O)no1.C=Cc1cc(C(=O)OCC)no1.FB(F)F.Nc1cnn(Cc2cccc(F)c2)c1.[CH2+]COC(=O)c1cc(Br)on1.[H][C-]=C.[K+].

What is the InChIKey of potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane?

The InChIKey is BEUKYKYISXRLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2.C10H10FN3.C8H9NO3.C6H5BrNO3.C6H5NO3.C2H3.BF3.K/c1-2-14-7-15(20-23-14)16(22)19-13-8-18-21(10-13)9-11-4-3-5-12(17)6-11;11-9-3-1-2-8(4-9)6-14-7-10(12)5-13-14;1-3-6-5-7(9-12-6)8(10)11-4-2;1-2-10-6(9)4-3-5(7)11-8-4;1-2-4-3-5(6(8)9)7-10-4;1-2;2-1(3)4;/h2-8,10H,1,9H2,(H,19,22);1-5,7H,6,12H2;3,5H,1,4H2,2H3;3H,1-2H2;2-3H,1H2,(H,8,9);1H,2H2;;/q;;;+1;;-1;;+1.

What are the key properties of potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane?

potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane has a molecular weight of 1162.75 g/mol, XLogP of 7.03, 14 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;ethene;5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethenyl-1,2-oxazole-3-carboxylic acid;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-ethenyl-1,2-oxazole-3-carboxylate;1-[(3-fluorophenyl)methyl]pyrazol-4-amine;trifluoroborane is sourced from PubChem (CID 161339847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).