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

C117H82Cl8F4N14O22 — CID 159153745

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

[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate (PubChem CID 159153745) has the molecular formula C117H82Cl8F4N14O22 and a molecular weight of 2395.63 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate
• PubChem CID: 159153745
• Molecular Formula: C117H82Cl8F4N14O22
• Molecular Weight: 2395.63 g/mol
• Exact Mass: 2390.32
• IUPAC Name: [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate
• SMILES: COc1cccc(-c2cc(COC(=O)c3cccnc3Cl)on2)c1.Cc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.O=C(OCc1cc(-c2ccccc2C(F)(F)F)no1)c1cccnc1Cl.O=C(OCc1cc(-c2ccccc2Cl)no1)c1cccnc1Cl.O=C(OCc1cc(-c2ccccc2F)no1)c1cccnc1Cl
• InChI: InChI=1S/C17H10ClF3N2O3.C17H13ClN2O4.3C17H13ClN2O3.C16H10Cl2N2O3.C16H10ClFN2O3/c18-15-12(5-3-7-22-15)16(24)25-9-10-8-14(23-26-10)11-4-1-2-6-13(11)17(19,20)21;1-22-12-5-2-4-11(8-12)15-9-13(24-20-15)10-23-17(21)14-6-3-7-19-16(14)18;3*1-11-4-6-12(7-5-11)15-9-13(23-20-15)10-22-17(21)14-3-2-8-19-16(14)18;17-13-6-2-1-4-11(13)14-8-10(23-20-14)9-22-16(21)12-5-3-7-19-15(12)18;17-15-12(5-3-7-19-15)16(21)22-9-10-8-14(20-23-10)11-4-1-2-6-13(11)18/h1-8H,9H2;2-9H,10H2,1H3;3*2-9H,10H2,1H3;2*1-8H,9H2
• InChIKey: KJPZAVCTHQSFJK-UHFFFAOYSA-N
• XLogP: 28.97
• TPSA: 465.77 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2395.63
LogP ≤ 5	28.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate (CID 159153745) is [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate.

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

The canonical SMILES for [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate is COc1cccc(-c2cc(COC(=O)c3cccnc3Cl)on2)c1.Cc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.O=C(OCc1cc(-c2ccccc2C(F)(F)F)no1)c1cccnc1Cl.O=C(OCc1cc(-c2ccccc2Cl)no1)c1cccnc1Cl.O=C(OCc1cc(-c2ccccc2F)no1)c1cccnc1Cl.

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

The InChIKey is KJPZAVCTHQSFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O3.C17H13ClN2O4.3C17H13ClN2O3.C16H10Cl2N2O3.C16H10ClFN2O3/c18-15-12(5-3-7-22-15)16(24)25-9-10-8-14(23-26-10)11-4-1-2-6-13(11)17(19,20)21;1-22-12-5-2-4-11(8-12)15-9-13(24-20-15)10-23-17(21)14-6-3-7-19-16(14)18;3*1-11-4-6-12(7-5-11)15-9-13(23-20-15)10-22-17(21)14-3-2-8-19-16(14)18;17-13-6-2-1-4-11(13)14-8-10(23-20-14)9-22-16(21)12-5-3-7-19-15(12)18;17-15-12(5-3-7-19-15)16(21)22-9-10-8-14(20-23-10)11-4-1-2-6-13(11)18/h1-8H,9H2;2-9H,10H2,1H3;3*2-9H,10H2,1H3;2*1-8H,9H2.

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

[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate has a molecular weight of 2395.63 g/mol, XLogP of 28.97, 29 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;tris([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 159153745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).