[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate

C96H53Br3Cl16N12O18 — CID 159117771

About [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate

[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate (PubChem CID 159117771) has the molecular formula C96H53Br3Cl16N12O18 and a molecular weight of 2469.51 g/mol. Its IUPAC name is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate
• PubChem CID: 159117771
• Molecular Formula: C96H53Br3Cl16N12O18
• Molecular Weight: 2469.51 g/mol
• Exact Mass: 2457.62
• IUPAC Name: [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate
• SMILES: O=C(OCc1cc(-c2ccc(Br)cc2)no1)c1cc(Cl)cnc1Cl.O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cc(Cl)cnc1Cl.O=C(OCc1cc(-c2ccc(Cl)cc2Cl)no1)c1cc(Cl)cnc1Cl.O=C(OCc1cc(-c2cccc(Br)c2)no1)c1cc(Cl)cnc1Cl.O=C(OCc1cc(-c2ccccc2Br)no1)c1cc(Cl)cnc1Cl.O=C(OCc1cc(-c2ccccc2Cl)no1)c1cc(Cl)cnc1Cl
• InChI: InChI=1S/3C16H9BrCl2N2O3.C16H8Cl4N2O3.2C16H9Cl3N2O3/c17-10-3-1-9(2-4-10)14-6-12(24-21-14)8-23-16(22)13-5-11(18)7-20-15(13)19;17-10-3-1-2-9(4-10)14-6-12(24-21-14)8-23-16(22)13-5-11(18)7-20-15(13)19;17-13-4-2-1-3-11(13)14-6-10(24-21-14)8-23-16(22)12-5-9(18)7-20-15(12)19;17-8-1-2-11(13(19)4-8)14-5-10(25-22-14)7-24-16(23)12-3-9(18)6-21-15(12)20;17-10-3-1-9(2-4-10)14-6-12(24-21-14)8-23-16(22)13-5-11(18)7-20-15(13)19;17-9-5-12(15(19)20-7-9)16(22)23-8-10-6-14(21-24-10)11-3-1-2-4-13(11)18/h3*1-7H,8H2;1-6H,7H2;2*1-7H,8H2
• InChIKey: KFHJYOUBHLWQTH-UHFFFAOYSA-N
• XLogP: 31.30
• TPSA: 391.32 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2469.51
LogP ≤ 5	31.30
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 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate?

The IUPAC name of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate (CID 159117771) is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-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 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate?

The canonical SMILES for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate is O=C(OCc1cc(-c2ccc(Br)cc2)no1)c1cc(Cl)cnc1Cl.O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cc(Cl)cnc1Cl.O=C(OCc1cc(-c2ccc(Cl)cc2Cl)no1)c1cc(Cl)cnc1Cl.O=C(OCc1cc(-c2cccc(Br)c2)no1)c1cc(Cl)cnc1Cl.O=C(OCc1cc(-c2ccccc2Br)no1)c1cc(Cl)cnc1Cl.O=C(OCc1cc(-c2ccccc2Cl)no1)c1cc(Cl)cnc1Cl.

What is the InChIKey of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate?

The InChIKey is KFHJYOUBHLWQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H9BrCl2N2O3.C16H8Cl4N2O3.2C16H9Cl3N2O3/c17-10-3-1-9(2-4-10)14-6-12(24-21-14)8-23-16(22)13-5-11(18)7-20-15(13)19;17-10-3-1-2-9(4-10)14-6-12(24-21-14)8-23-16(22)13-5-11(18)7-20-15(13)19;17-13-4-2-1-3-11(13)14-6-10(24-21-14)8-23-16(22)12-5-9(18)7-20-15(12)19;17-8-1-2-11(13(19)4-8)14-5-10(25-22-14)7-24-16(23)12-3-9(18)6-21-15(12)20;17-10-3-1-9(2-4-10)14-6-12(24-21-14)8-23-16(22)13-5-11(18)7-20-15(13)19;17-9-5-12(15(19)20-7-9)16(22)23-8-10-6-14(21-24-10)11-3-1-2-4-13(11)18/h3*1-7H,8H2;1-6H,7H2;2*1-7H,8H2.

What are the key properties of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate?

[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate has a molecular weight of 2469.51 g/mol, XLogP of 31.30, 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 2,5-dichloropyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate is sourced from PubChem (CID 159117771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).