lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide

C76H87BBrF9LiN17O16 — CID 157387054

About lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide

lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide (PubChem CID 157387054) has the molecular formula C76H87BBrF9LiN17O16 and a molecular weight of 1763.27 g/mol. Its IUPAC name is lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide.

Molecular Properties

• Compound Name: lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide
• PubChem CID: 157387054
• Molecular Formula: C76H87BBrF9LiN17O16
• Molecular Weight: 1763.27 g/mol
• Exact Mass: 1761.58
• IUPAC Name: lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide
• SMILES: C.C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1cc(C(=O)Nc2cnn(Cc3cnccc3C(F)(F)F)c2)no1.C=C(C)c1cc(C(=O)O)no1.C=C(C)c1cc(C(=O)OCC)no1.CC(C)c1cc(C(=O)Nc2cnn(Cc3cnccc3C(F)(F)F)c2)no1.CCOC(=O)c1cc(Br)on1.NC=C(N)/C=N/Cc1cnccc1C(F)(F)F.[Li+].[OH-]
• InChI: InChI=1S/C17H16F3N5O2.C17H14F3N5O2.C10H11F3N4.C9H17BO2.C9H11NO3.C7H7NO3.C6H6BrNO3.CH4.Li.H2O/c2*1-10(2)15-5-14(24-27-15)16(26)23-12-7-22-25(9-12)8-11-6-21-4-3-13(11)17(18,19)20;11-10(12,13)9-1-2-16-4-7(9)5-17-6-8(15)3-14;1-7(2)10-11-8(3,4)9(5,6)12-10;1-4-12-9(11)7-5-8(6(2)3)13-10-7;1-4(2)6-3-5(7(9)10)8-11-6;1-2-10-6(9)4-3-5(7)11-8-4;;;/h3-7,9-10H,8H2,1-2H3,(H,23,26);3-7,9H,1,8H2,2H3,(H,23,26);1-4,6H,5,14-15H2;1H2,2-6H3;5H,2,4H2,1,3H3;3H,1H2,2H3,(H,9,10);3H,2H2,1H3;1H4;;1H2/q;;;;;;;;+1;/p-1/b;;8-3?,17-6+
• InChIKey: LJLFZYPINHRRJN-WLKJLHNZSA-M
• XLogP: 13.32
• TPSA: 465.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1763.27
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide?

The IUPAC name of lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide (CID 157387054) is lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide.

What is the SMILES notation for lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide?

The canonical SMILES for lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide is C.C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1cc(C(=O)Nc2cnn(Cc3cnccc3C(F)(F)F)c2)no1.C=C(C)c1cc(C(=O)O)no1.C=C(C)c1cc(C(=O)OCC)no1.CC(C)c1cc(C(=O)Nc2cnn(Cc3cnccc3C(F)(F)F)c2)no1.CCOC(=O)c1cc(Br)on1.NC=C(N)/C=N/Cc1cnccc1C(F)(F)F.[Li+].[OH-].

What is the InChIKey of lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide?

The InChIKey is LJLFZYPINHRRJN-WLKJLHNZSA-M. The full InChI is InChI=1S/C17H16F3N5O2.C17H14F3N5O2.C10H11F3N4.C9H17BO2.C9H11NO3.C7H7NO3.C6H6BrNO3.CH4.Li.H2O/c2*1-10(2)15-5-14(24-27-15)16(26)23-12-7-22-25(9-12)8-11-6-21-4-3-13(11)17(18,19)20;11-10(12,13)9-1-2-16-4-7(9)5-17-6-8(15)3-14;1-7(2)10-11-8(3,4)9(5,6)12-10;1-4-12-9(11)7-5-8(6(2)3)13-10-7;1-4(2)6-3-5(7(9)10)8-11-6;1-2-10-6(9)4-3-5(7)11-8-4;;;/h3-7,9-10H,8H2,1-2H3,(H,23,26);3-7,9H,1,8H2,2H3,(H,23,26);1-4,6H,5,14-15H2;1H2,2-6H3;5H,2,4H2,1,3H3;3H,1H2,2H3,(H,9,10);3H,2H2,1H3;1H4;;1H2/q;;;;;;;;+1;/p-1/b;;8-3?,17-6+;;;;;;;.

What are the key properties of lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide?

lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide has a molecular weight of 1763.27 g/mol, XLogP of 13.32, 21 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;methane;5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;3-[[4-(trifluoromethyl)-3-pyridinyl]methylimino]prop-1-ene-1,2-diamine;hydroxide is sourced from PubChem (CID 157387054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).