[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate

C99H79Br2N11O19 — CID 161237362

About [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate

[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate (PubChem CID 161237362) has the molecular formula C99H79Br2N11O19 and a molecular weight of 1886.59 g/mol. Its IUPAC name is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate
• PubChem CID: 161237362
• Molecular Formula: C99H79Br2N11O19
• Molecular Weight: 1886.59 g/mol
• Exact Mass: 1883.39
• IUPAC Name: [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate
• SMILES: Cc1ccc(-c2cc(COC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1.Cc1ccc(C(=O)OCc2cc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)n1.Cc1ccc(C(=O)OCc2cc(-c3cccc(Br)c3)no2)c(C)n1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3Br)no2)c(C)n1.O=C(OCc1cc(-c2ccccc2)no1)c1ccc(Oc2ccccc2)nc1
• InChI: InChI=1S/C23H18N2O4.C22H16N2O4.2C18H15BrN2O3.C18H15N3O5/c1-16-7-9-17(10-8-16)21-13-20(29-25-21)15-27-23(26)18-11-12-22(24-14-18)28-19-5-3-2-4-6-19;25-22(17-11-12-21(23-14-17)27-18-9-5-2-6-10-18)26-15-19-13-20(24-28-19)16-7-3-1-4-8-16;1-11-6-7-16(12(2)20-11)18(22)23-10-15-9-17(21-24-15)13-4-3-5-14(19)8-13;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;1-11-3-8-16(12(2)19-11)18(22)25-10-15-9-17(20-26-15)13-4-6-14(7-5-13)21(23)24/h2-14H,15H2,1H3;1-14H,15H2;2*3-9H,10H2,1-2H3;3-9H,10H2,1-2H3
• InChIKey: UZNZMDKQKXCDDC-UHFFFAOYSA-N
• XLogP: 22.64
• TPSA: 387.70 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1886.59
LogP ≤ 5	22.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate?

The IUPAC name of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate (CID 161237362) is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate.

What is the SMILES notation for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate?

The canonical SMILES for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate is Cc1ccc(-c2cc(COC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1.Cc1ccc(C(=O)OCc2cc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)n1.Cc1ccc(C(=O)OCc2cc(-c3cccc(Br)c3)no2)c(C)n1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3Br)no2)c(C)n1.O=C(OCc1cc(-c2ccccc2)no1)c1ccc(Oc2ccccc2)nc1.

What is the InChIKey of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate?

The InChIKey is UZNZMDKQKXCDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4.C22H16N2O4.2C18H15BrN2O3.C18H15N3O5/c1-16-7-9-17(10-8-16)21-13-20(29-25-21)15-27-23(26)18-11-12-22(24-14-18)28-19-5-3-2-4-6-19;25-22(17-11-12-21(23-14-17)27-18-9-5-2-6-10-18)26-15-19-13-20(24-28-19)16-7-3-1-4-8-16;1-11-6-7-16(12(2)20-11)18(22)23-10-15-9-17(21-24-15)13-4-3-5-14(19)8-13;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;1-11-3-8-16(12(2)19-11)18(22)25-10-15-9-17(20-26-15)13-4-6-14(7-5-13)21(23)24/h2-14H,15H2,1H3;1-14H,15H2;2*3-9H,10H2,1-2H3;3-9H,10H2,1-2H3.

What are the key properties of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate?

[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate has a molecular weight of 1886.59 g/mol, XLogP of 22.64, 25 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl 2,6-dimethylpyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl 6-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 161237362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).