[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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

C106H88Cl4N12O20 — CID 158338613

About [3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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 158338613) has the molecular formula C106H88Cl4N12O20 and a molecular weight of 1991.75 g/mol. Its IUPAC name is [3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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: 158338613
• Molecular Formula: C106H88Cl4N12O20
• Molecular Weight: 1991.75 g/mol
• Exact Mass: 1988.50
• IUPAC Name: [3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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: COc1cccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)c1.COc1ccccc1-c1cc(COC(=O)c2ccc(C)nc2)on1.Cc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)c(Cl)c1.Cc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3Cl)no2)cn1.Cc1cccc(-c2cc(COC(=O)c3cc(Cl)cnc3Cl)on2)c1
• InChI: InChI=1S/C18H15ClN2O3.2C18H16N2O4.C18H16N2O3.C17H12Cl2N2O3.C17H13ClN2O3/c1-11-3-6-15(16(19)7-11)17-8-14(24-21-17)10-23-18(22)13-5-4-12(2)20-9-13;1-12-6-7-14(10-19-12)18(21)23-11-16-9-17(20-24-16)13-4-3-5-15(8-13)22-2;1-12-7-8-13(10-19-12)18(21)23-11-14-9-16(20-24-14)15-5-3-4-6-17(15)22-2;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;1-10-3-2-4-11(5-10)15-7-13(24-21-15)9-23-17(22)14-6-12(18)8-20-16(14)19;1-11-6-7-12(9-19-11)17(21)22-10-13-8-16(20-23-13)14-4-2-3-5-15(14)18/h3-9H,10H2,1-2H3;2*3-10H,11H2,1-2H3;3-10H,11H2,1-2H3;2-8H,9H2,1H3;2-9H,10H2,1H3
• InChIKey: GQWUWTMAIKJXMS-UHFFFAOYSA-N
• XLogP: 23.66
• TPSA: 409.78 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1991.75
LogP ≤ 5	23.66
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-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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 158338613) is [3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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 COc1cccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)c1.COc1ccccc1-c1cc(COC(=O)c2ccc(C)nc2)on1.Cc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)c(Cl)c1.Cc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3Cl)no2)cn1.Cc1cccc(-c2cc(COC(=O)c3cc(Cl)cnc3Cl)on2)c1.

What is the InChIKey of [3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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 GQWUWTMAIKJXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3.2C18H16N2O4.C18H16N2O3.C17H12Cl2N2O3.C17H13ClN2O3/c1-11-3-6-15(16(19)7-11)17-8-14(24-21-17)10-23-18(22)13-5-4-12(2)20-9-13;1-12-6-7-14(10-19-12)18(21)23-11-16-9-17(20-24-16)13-4-3-5-15(8-13)22-2;1-12-7-8-13(10-19-12)18(21)23-11-14-9-16(20-24-14)15-5-3-4-6-17(15)22-2;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;1-10-3-2-4-11(5-10)15-7-13(24-21-15)9-23-17(22)14-6-12(18)8-20-16(14)19;1-11-6-7-12(9-19-11)17(21)22-10-13-8-16(20-23-13)14-4-2-3-5-15(14)18/h3-9H,10H2,1-2H3;2*3-10H,11H2,1-2H3;3-10H,11H2,1-2H3;2-8H,9H2,1H3;2-9H,10H2,1H3.

What are the key properties of [3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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 1991.75 g/mol, XLogP of 23.66, 26 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(3-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 158338613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).