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

C116H83ClF8N14O23 — CID 160933575

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

[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(4-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;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate (PubChem CID 160933575) has the molecular formula C116H83ClF8N14O23 and a molecular weight of 2228.45 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(4-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;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(4-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;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate
• PubChem CID: 160933575
• Molecular Formula: C116H83ClF8N14O23
• Molecular Weight: 2228.45 g/mol
• Exact Mass: 2226.53
• IUPAC Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(4-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;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-[4-(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.O=C(OCc1cc(-c2ccc(C(F)(F)F)cc2)no1)c1cccnc1.O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cccnc1.O=C(OCc1cc(-c2ccc(F)cc2)no1)c1cccnc1.O=C(OCc1cc(-c2ccccc2C(F)(F)F)no1)c1cccnc1.O=C(OCc1cc(-c2ccccc2F)no1)c1cccnc1
• InChI: InChI=1S/2C17H11F3N2O3.2C17H14N2O4.C16H11ClN2O3.2C16H11FN2O3/c18-17(19,20)13-5-3-11(4-6-13)15-8-14(25-22-15)10-24-16(23)12-2-1-7-21-9-12;18-17(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;2*17-13-5-3-11(4-6-13)15-8-14(22-19-15)10-21-16(20)12-2-1-7-18-9-12;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/h2*1-9H,10H2;2*2-10H,11H2,1H3;3*1-9H,10H2
• InChIKey: STOUHKQOJYWVPM-UHFFFAOYSA-N
• XLogP: 24.64
• TPSA: 475.00 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2228.45
LogP ≤ 5	24.64
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-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(4-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;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate?

The IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(4-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;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate (CID 160933575) is [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(4-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;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate.

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

The canonical SMILES for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(4-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;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-[4-(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.O=C(OCc1cc(-c2ccc(C(F)(F)F)cc2)no1)c1cccnc1.O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cccnc1.O=C(OCc1cc(-c2ccc(F)cc2)no1)c1cccnc1.O=C(OCc1cc(-c2ccccc2C(F)(F)F)no1)c1cccnc1.O=C(OCc1cc(-c2ccccc2F)no1)c1cccnc1.

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

The InChIKey is STOUHKQOJYWVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H11F3N2O3.2C17H14N2O4.C16H11ClN2O3.2C16H11FN2O3/c18-17(19,20)13-5-3-11(4-6-13)15-8-14(25-22-15)10-24-16(23)12-2-1-7-21-9-12;18-17(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;2*17-13-5-3-11(4-6-13)15-8-14(22-19-15)10-21-16(20)12-2-1-7-18-9-12;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/h2*1-9H,10H2;2*2-10H,11H2,1H3;3*1-9H,10H2.

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

[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(4-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;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate has a molecular weight of 2228.45 g/mol, XLogP of 24.64, 30 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-(4-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;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate is sourced from PubChem (CID 160933575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).