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

C100H65BrCl14N12O18 — CID 157393697

About [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-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-(2-chloro-4-methylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate) (PubChem CID 157393697) has the molecular formula C100H65BrCl14N12O18 and a molecular weight of 2298.93 g/mol. Its IUPAC name is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-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-(2-chloro-4-methylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate)
• PubChem CID: 157393697
• Molecular Formula: C100H65BrCl14N12O18
• Molecular Weight: 2298.93 g/mol
• Exact Mass: 2289.94
• IUPAC Name: [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate)
• SMILES: Cc1ccc(-c2cc(COC(=O)c3cc(Cl)cnc3Cl)on2)c(Cl)c1.Cc1ccc(-c2cc(COC(=O)c3cc(Cl)cnc3Cl)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3cc(Cl)cnc3Cl)on2)cc1.Cc1cccc(-c2cc(COC(=O)c3cc(Cl)cnc3Cl)on2)c1.O=C(OCc1cc(-c2ccccc2Br)no1)c1cc(Cl)cnc1Cl.O=C(OCc1cc(-c2ccccc2Cl)no1)c1cc(Cl)cnc1Cl
• InChI: InChI=1S/C17H11Cl3N2O3.3C17H12Cl2N2O3.C16H9BrCl2N2O3.C16H9Cl3N2O3/c1-9-2-3-12(14(19)4-9)15-6-11(25-22-15)8-24-17(23)13-5-10(18)7-21-16(13)20;2*1-10-2-4-11(5-3-10)15-7-13(24-21-15)9-23-17(22)14-6-12(18)8-20-16(14)19;1-10-3-2-4-11(5-10)15-7-13(24-21-15)9-23-17(22)14-6-12(18)8-20-16(14)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;17-9-5-12(15(19)20-7-9)16(22)23-8-10-6-14(21-24-10)11-3-1-2-4-13(11)18/h2-7H,8H2,1H3;3*2-8H,9H2,1H3;2*1-7H,8H2
• InChIKey: BMHXZPIGOXDPFZ-UHFFFAOYSA-N
• XLogP: 29.71
• 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	2298.93
LogP ≤ 5	29.71
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-(2-chloro-4-methylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-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-(2-chloro-4-methylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate) (CID 157393697) is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(2-chloro-4-methylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-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-(2-chloro-4-methylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-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-(2-chloro-4-methylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate) is Cc1ccc(-c2cc(COC(=O)c3cc(Cl)cnc3Cl)on2)c(Cl)c1.Cc1ccc(-c2cc(COC(=O)c3cc(Cl)cnc3Cl)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3cc(Cl)cnc3Cl)on2)cc1.Cc1cccc(-c2cc(COC(=O)c3cc(Cl)cnc3Cl)on2)c1.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-(2-chloro-4-methylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate)?

The InChIKey is BMHXZPIGOXDPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O3.3C17H12Cl2N2O3.C16H9BrCl2N2O3.C16H9Cl3N2O3/c1-9-2-3-12(14(19)4-9)15-6-11(25-22-15)8-24-17(23)13-5-10(18)7-21-16(13)20;2*1-10-2-4-11(5-3-10)15-7-13(24-21-15)9-23-17(22)14-6-12(18)8-20-16(14)19;1-10-3-2-4-11(5-10)15-7-13(24-21-15)9-23-17(22)14-6-12(18)8-20-16(14)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;17-9-5-12(15(19)20-7-9)16(22)23-8-10-6-14(21-24-10)11-3-1-2-4-13(11)18/h2-7H,8H2,1H3;3*2-8H,9H2,1H3;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-(2-chloro-4-methylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-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-(2-chloro-4-methylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate) has a molecular weight of 2298.93 g/mol, XLogP of 29.71, 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-(2-chloro-4-methylphenyl)-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-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate) is sourced from PubChem (CID 157393697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).