[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate

C108H90Cl6N12O20 — CID 158424728

About [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate

[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate (PubChem CID 158424728) has the molecular formula C108H90Cl6N12O20 and a molecular weight of 2088.69 g/mol. Its IUPAC name is [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate
• PubChem CID: 158424728
• Molecular Formula: C108H90Cl6N12O20
• Molecular Weight: 2088.69 g/mol
• Exact Mass: 2084.45
• IUPAC Name: [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate
• SMILES: CC(C)(C)c1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.CCc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.COc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.COc1ccccc1-c1cc(COC(=O)c2cccnc2Cl)on1.Cc1cc(C)c(-c2cc(COC(=O)c3cccnc3Cl)on2)c(C)c1.Cc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1
• InChI: InChI=1S/C20H19ClN2O3.C19H17ClN2O3.C18H15ClN2O3.2C17H13ClN2O4.C17H13ClN2O3/c1-20(2,3)14-8-6-13(7-9-14)17-11-15(26-23-17)12-25-19(24)16-5-4-10-22-18(16)21;1-11-7-12(2)17(13(3)8-11)16-9-14(25-22-16)10-24-19(23)15-5-4-6-21-18(15)20;1-2-12-5-7-13(8-6-12)16-10-14(24-21-16)11-23-18(22)15-4-3-9-20-17(15)19;1-22-12-6-4-11(5-7-12)15-9-13(24-20-15)10-23-17(21)14-3-2-8-19-16(14)18;1-22-15-7-3-2-5-12(15)14-9-11(24-20-14)10-23-17(21)13-6-4-8-19-16(13)18;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/h4-11H,12H2,1-3H3;4-9H,10H2,1-3H3;3-10H,2,11H2,1H3;2*2-9H,10H2,1H3;2-9H,10H2,1H3
• InChIKey: HAXJRFXYXKSYOT-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 409.78 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2088.69
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

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-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate?

The IUPAC name of [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate (CID 158424728) is [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate.

What is the SMILES notation for [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate?

The canonical SMILES for [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate is CC(C)(C)c1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.CCc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.COc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.COc1ccccc1-c1cc(COC(=O)c2cccnc2Cl)on1.Cc1cc(C)c(-c2cc(COC(=O)c3cccnc3Cl)on2)c(C)c1.Cc1ccc(-c2cc(COC(=O)c3cccnc3Cl)on2)cc1.

What is the InChIKey of [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate?

The InChIKey is HAXJRFXYXKSYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3.C19H17ClN2O3.C18H15ClN2O3.2C17H13ClN2O4.C17H13ClN2O3/c1-20(2,3)14-8-6-13(7-9-14)17-11-15(26-23-17)12-25-19(24)16-5-4-10-22-18(16)21;1-11-7-12(2)17(13(3)8-11)16-9-14(25-22-16)10-24-19(23)15-5-4-6-21-18(15)20;1-2-12-5-7-13(8-6-12)16-10-14(24-21-16)11-23-18(22)15-4-3-9-20-17(15)19;1-22-12-6-4-11(5-7-12)15-9-13(24-20-15)10-23-17(21)14-3-2-8-19-16(14)18;1-22-15-7-3-2-5-12(15)14-9-11(24-20-14)10-23-17(21)13-6-4-8-19-16(13)18;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/h4-11H,12H2,1-3H3;4-9H,10H2,1-3H3;3-10H,2,11H2,1H3;2*2-9H,10H2,1H3;2-9H,10H2,1H3.

What are the key properties of [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate?

[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate has a molecular weight of 2088.69 g/mol, XLogP of 25.59, 27 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 158424728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).