[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate

C118H92F4N14O23 — CID 159694412

About [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate

[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate (PubChem CID 159694412) has the molecular formula C118H92F4N14O23 and a molecular weight of 2150.10 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate
• PubChem CID: 159694412
• Molecular Formula: C118H92F4N14O23
• Molecular Weight: 2150.10 g/mol
• Exact Mass: 2148.64
• IUPAC Name: [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate
• SMILES: COc1cccc(-c2cc(COC(=O)c3cccnc3)on2)c1.COc1ccccc1-c1cc(COC(=O)c2cccnc2)on1.Cc1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1.O=C(OCc1cc(-c2ccccc2C(F)(F)F)no1)c1cccnc1.O=C(OCc1cc(-c2ccccc2F)no1)c1cccnc1
• InChI: InChI=1S/C17H11F3N2O3.2C17H14N2O4.3C17H14N2O3.C16H11FN2O3/c18-17(19,20)14-6-2-1-5-13(14)15-8-12(25-22-15)10-24-16(23)11-4-3-7-21-9-11;1-21-14-6-2-4-12(8-14)16-9-15(23-19-16)11-22-17(20)13-5-3-7-18-10-13;1-21-16-7-3-2-6-14(16)15-9-13(23-19-15)11-22-17(20)12-5-4-8-18-10-12;3*1-12-4-6-13(7-5-12)16-9-15(22-19-16)11-21-17(20)14-3-2-8-18-10-14;17-14-6-2-1-5-13(14)15-8-12(22-19-15)10-21-16(20)11-4-3-7-18-9-11/h1-9H,10H2;2*2-10H,11H2,1H3;3*2-10H,11H2,1H3;1-9H,10H2
• InChIKey: MWVDJLSJFLYTHT-UHFFFAOYSA-N
• XLogP: 23.76
• TPSA: 475.00 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2150.10
LogP ≤ 5	23.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate?

The IUPAC name of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate (CID 159694412) is [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate.

What is the SMILES notation for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate?

The canonical SMILES for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate is COc1cccc(-c2cc(COC(=O)c3cccnc3)on2)c1.COc1ccccc1-c1cc(COC(=O)c2cccnc2)on1.Cc1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1.O=C(OCc1cc(-c2ccccc2C(F)(F)F)no1)c1cccnc1.O=C(OCc1cc(-c2ccccc2F)no1)c1cccnc1.

What is the InChIKey of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate?

The InChIKey is MWVDJLSJFLYTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O3.2C17H14N2O4.3C17H14N2O3.C16H11FN2O3/c18-17(19,20)14-6-2-1-5-13(14)15-8-12(25-22-15)10-24-16(23)11-4-3-7-21-9-11;1-21-14-6-2-4-12(8-14)16-9-15(23-19-16)11-22-17(20)13-5-3-7-18-10-13;1-21-16-7-3-2-6-14(16)15-9-13(23-19-15)11-22-17(20)12-5-4-8-18-10-12;3*1-12-4-6-13(7-5-12)16-9-15(22-19-16)11-21-17(20)14-3-2-8-18-10-14;17-14-6-2-1-5-13(14)15-8-12(22-19-15)10-21-16(20)11-4-3-7-18-9-11/h1-9H,10H2;2*2-10H,11H2,1H3;3*2-10H,11H2,1H3;1-9H,10H2.

What are the key properties of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate?

[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate has a molecular weight of 2150.10 g/mol, XLogP of 23.76, 30 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate is sourced from PubChem (CID 159694412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).