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

C111H100BrClN12O20 — CID 158703600

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

[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate (PubChem CID 158703600) has the molecular formula C111H100BrClN12O20 and a molecular weight of 2037.44 g/mol. Its IUPAC name is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
• PubChem CID: 158703600
• Molecular Formula: C111H100BrClN12O20
• Molecular Weight: 2037.44 g/mol
• Exact Mass: 2034.60
• IUPAC Name: [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
• SMILES: CCc1ccc(-c2cc(COC(=O)c3ccc(C)nc3C)on2)cc1.COc1cccc(-c2cc(COC(=O)c3ccc(C)nc3C)on2)c1.COc1ccccc1-c1cc(COC(=O)c2ccc(C)nc2C)on1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3Br)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3Cl)no2)c(C)n1.Cc1cccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)c1
• InChI: InChI=1S/C20H20N2O3.2C19H18N2O4.C18H15ClN2O3.C18H16N2O3.C17H13BrN2O3/c1-4-15-6-8-16(9-7-15)19-11-17(25-22-19)12-24-20(23)18-10-5-13(2)21-14(18)3;1-12-7-8-17(13(2)20-12)19(22)24-11-16-10-18(21-25-16)14-5-4-6-15(9-14)23-3;1-12-8-9-15(13(2)20-12)19(22)24-11-14-10-17(21-25-14)16-6-4-5-7-18(16)23-3;1-11-7-8-14(12(2)20-11)18(22)23-10-13-9-17(21-24-13)15-5-3-4-6-16(15)19;1-12-4-3-5-14(8-12)17-9-16(23-20-17)11-22-18(21)15-7-6-13(2)19-10-15;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/h5-11H,4,12H2,1-3H3;2*4-10H,11H2,1-3H3;3-9H,10H2,1-2H3;3-10H,11H2,1-2H3;2-9H,10H2,1H3
• InChIKey: IHVPIORRFUZFCB-UHFFFAOYSA-N
• XLogP: 23.95
• TPSA: 409.78 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2037.44
LogP ≤ 5	23.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate?

The IUPAC name of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate (CID 158703600) is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate.

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

The canonical SMILES for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate is CCc1ccc(-c2cc(COC(=O)c3ccc(C)nc3C)on2)cc1.COc1cccc(-c2cc(COC(=O)c3ccc(C)nc3C)on2)c1.COc1ccccc1-c1cc(COC(=O)c2ccc(C)nc2C)on1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3Br)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3Cl)no2)c(C)n1.Cc1cccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)c1.

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

The InChIKey is IHVPIORRFUZFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3.2C19H18N2O4.C18H15ClN2O3.C18H16N2O3.C17H13BrN2O3/c1-4-15-6-8-16(9-7-15)19-11-17(25-22-19)12-24-20(23)18-10-5-13(2)21-14(18)3;1-12-7-8-17(13(2)20-12)19(22)24-11-16-10-18(21-25-16)14-5-4-6-15(9-14)23-3;1-12-8-9-15(13(2)20-12)19(22)24-11-14-10-17(21-25-14)16-6-4-5-7-18(16)23-3;1-11-7-8-14(12(2)20-11)18(22)23-10-13-9-17(21-24-13)15-5-3-4-6-16(15)19;1-12-4-3-5-14(8-12)17-9-16(23-20-17)11-22-18(21)15-7-6-13(2)19-10-15;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/h5-11H,4,12H2,1-3H3;2*4-10H,11H2,1-3H3;3-9H,10H2,1-2H3;3-10H,11H2,1-2H3;2-9H,10H2,1H3.

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

[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate has a molecular weight of 2037.44 g/mol, XLogP of 23.95, 27 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 158703600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).