[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate

C102H77Br2Cl4FN12O18 — CID 158081150

About [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate

[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate (PubChem CID 158081150) has the molecular formula C102H77Br2Cl4FN12O18 and a molecular weight of 2079.42 g/mol. Its IUPAC name is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-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-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
• PubChem CID: 158081150
• Molecular Formula: C102H77Br2Cl4FN12O18
• Molecular Weight: 2079.42 g/mol
• Exact Mass: 2074.26
• IUPAC Name: [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
• SMILES: Cc1ccc(C(=O)OCc2cc(-c3ccc(Br)cc3)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccc(Cl)cc3Cl)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3Br)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3Cl)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3F)no2)cn1
• InChI: InChI=1S/2C17H13BrN2O3.C17H12Cl2N2O3.2C17H13ClN2O3.C17H13FN2O3/c1-11-2-3-13(9-19-11)17(21)22-10-15-8-16(20-23-15)12-4-6-14(18)7-5-12;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;1-10-2-3-11(8-20-10)17(22)23-9-13-7-16(21-24-13)14-5-4-12(18)6-15(14)19;1-11-2-3-13(9-19-11)17(21)22-10-15-8-16(20-23-15)12-4-6-14(18)7-5-12;2*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/h2*2-9H,10H2,1H3;2-8H,9H2,1H3;3*2-9H,10H2,1H3
• InChIKey: FMYVJBVBIPYAPW-UHFFFAOYSA-N
• XLogP: 24.69
• TPSA: 391.32 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2079.42
LogP ≤ 5	24.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-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-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate (CID 158081150) is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-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-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-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-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate is Cc1ccc(C(=O)OCc2cc(-c3ccc(Br)cc3)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccc(Cl)cc3Cl)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3Br)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3Cl)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3F)no2)cn1.

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

The InChIKey is FMYVJBVBIPYAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H13BrN2O3.C17H12Cl2N2O3.2C17H13ClN2O3.C17H13FN2O3/c1-11-2-3-13(9-19-11)17(21)22-10-15-8-16(20-23-15)12-4-6-14(18)7-5-12;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;1-10-2-3-11(8-20-10)17(22)23-9-13-7-16(21-24-13)14-5-4-12(18)6-15(14)19;1-11-2-3-13(9-19-11)17(21)22-10-15-8-16(20-23-15)12-4-6-14(18)7-5-12;2*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/h2*2-9H,10H2,1H3;2-8H,9H2,1H3;3*2-9H,10H2,1H3.

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

[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate has a molecular weight of 2079.42 g/mol, XLogP of 24.69, 24 rotatable bonds, 0 hydrogen bond donors, and 30 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-(4-bromophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 158081150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).