[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate

C72H60Cl4N8O12 — CID 158529608

About [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate

[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate (PubChem CID 158529608) has the molecular formula C72H60Cl4N8O12 and a molecular weight of 1371.13 g/mol. Its IUPAC name is [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
• PubChem CID: 158529608
• Molecular Formula: C72H60Cl4N8O12
• Molecular Weight: 1371.13 g/mol
• Exact Mass: 1368.31
• IUPAC Name: [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
• SMILES: CCc1ccc(-c2cc(COC(=O)c3cc(Cl)cnc3Cl)on2)cc1.CCc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3cc(Cl)cnc3Cl)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1
• InChI: InChI=1S/C19H18N2O3.C18H14Cl2N2O3.C18H16N2O3.C17H12Cl2N2O3/c1-3-14-5-8-15(9-6-14)18-10-17(24-21-18)12-23-19(22)16-7-4-13(2)20-11-16;1-2-11-3-5-12(6-4-11)16-8-14(25-22-16)10-24-18(23)15-7-13(19)9-21-17(15)20;1-12-3-6-14(7-4-12)17-9-16(23-20-17)11-22-18(21)15-8-5-13(2)19-10-15;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/h4-11H,3,12H2,1-2H3;3-9H,2,10H2,1H3;3-10H,11H2,1-2H3;2-8H,9H2,1H3
• InChIKey: HNEYKRYRHOWYDS-UHFFFAOYSA-N
• XLogP: 17.35
• TPSA: 260.88 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1371.13
LogP ≤ 5	17.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate?

The IUPAC name of [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate (CID 158529608) is [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate.

What is the SMILES notation for [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate?

The canonical SMILES for [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate is CCc1ccc(-c2cc(COC(=O)c3cc(Cl)cnc3Cl)on2)cc1.CCc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3cc(Cl)cnc3Cl)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1.

What is the InChIKey of [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate?

The InChIKey is HNEYKRYRHOWYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3.C18H14Cl2N2O3.C18H16N2O3.C17H12Cl2N2O3/c1-3-14-5-8-15(9-6-14)18-10-17(24-21-18)12-23-19(22)16-7-4-13(2)20-11-16;1-2-11-3-5-12(6-4-11)16-8-14(25-22-16)10-24-18(23)15-7-13(19)9-21-17(15)20;1-12-3-6-14(7-4-12)17-9-16(23-20-17)11-22-18(21)15-8-5-13(2)19-10-15;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/h4-11H,3,12H2,1-2H3;3-9H,2,10H2,1H3;3-10H,11H2,1-2H3;2-8H,9H2,1H3.

What are the key properties of [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate?

[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate has a molecular weight of 1371.13 g/mol, XLogP of 17.35, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2,5-dichloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 158529608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).