[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate

C₁₀₀H₇₁BrCl₈N₁₂O₁₈ — CID 159510920

About [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate

[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate (PubChem CID 159510920) has the molecular formula C₁₀₀H₇₁BrCl₈N₁₂O₁₈ and a molecular weight of 2092.26 g/mol. Its IUPAC name is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate
• PubChem CID: 159510920
• Molecular Formula: C₁₀₀H₇₁BrCl₈N₁₂O₁₈
• Molecular Weight: 2092.26 g/mol
• Exact Mass: 2086.17
• IUPAC Name: [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate
• SMILES: Cc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)c(Cl)c1.Cc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.Cc1cccc(-c2cc(COC(=O)c3cccnc3Cl)on2)c1.O=C(OCc1cc(-c2ccccc2)no1)c1cc(Cl)cnc1Cl.O=C(OCc1cc(-c2ccccc2Br)no1)c1cccnc1Cl
• InChI: InChI=1S/C17H12Cl2N2O3.3C17H13ClN2O3.C16H10BrClN2O3.C16H10Cl2N2O3/c1-10-4-5-12(14(18)7-10)15-8-11(24-21-15)9-23-17(22)13-3-2-6-20-16(13)19;1-11-4-2-5-12(8-11)15-9-13(23-20-15)10-22-17(21)14-6-3-7-19-16(14)18;2*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;17-11-6-13(15(18)19-8-11)16(21)22-9-12-7-14(20-23-12)10-4-2-1-3-5-10/h2-8H,9H2,1H3;3*2-9H,10H2,1H3;2*1-8H,9H2
• InChIKey: MAPAPYOEGSAYOA-UHFFFAOYSA-N
• XLogP: 25.78
• TPSA: 391.32 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2092.26
LogP ≤ 5	25.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate?

The IUPAC name of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate (CID 159510920) is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate.

What is the SMILES notation for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate?

The canonical SMILES for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate is Cc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)c(Cl)c1.Cc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.Cc1cccc(-c2cc(COC(=O)c3cccnc3Cl)on2)c1.O=C(OCc1cc(-c2ccccc2)no1)c1cc(Cl)cnc1Cl.O=C(OCc1cc(-c2ccccc2Br)no1)c1cccnc1Cl.

What is the InChIKey of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate?

The InChIKey is MAPAPYOEGSAYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3.3C17H13ClN2O3.C16H10BrClN2O3.C16H10Cl2N2O3/c1-10-4-5-12(14(18)7-10)15-8-11(24-21-15)9-23-17(22)13-3-2-6-20-16(13)19;1-11-4-2-5-12(8-11)15-9-13(23-20-15)10-22-17(21)14-6-3-7-19-16(14)18;2*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;17-11-6-13(15(18)19-8-11)16(21)22-9-12-7-14(20-23-12)10-4-2-1-3-5-10/h2-8H,9H2,1H3;3*2-9H,10H2,1H3;2*1-8H,9H2.

What are the key properties of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate?

[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate has a molecular weight of 2092.26 g/mol, XLogP of 25.78, 24 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate);(3-phenyl-1,2-oxazol-5-yl)methyl 2,5-dichloropyridine-3-carboxylate is sourced from PubChem (CID 159510920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159510920 — identifiers, structure, computed properties (public domain)

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