[3-(4-fluorophenyl)-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-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate

C107H87F7N12O21 — CID 159539832

About [3-(4-fluorophenyl)-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-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate

[3-(4-fluorophenyl)-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-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate (PubChem CID 159539832) has the molecular formula C107H87F7N12O21 and a molecular weight of 2009.92 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-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-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-(4-fluorophenyl)-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-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
• PubChem CID: 159539832
• Molecular Formula: C107H87F7N12O21
• Molecular Weight: 2009.92 g/mol
• Exact Mass: 2008.60
• IUPAC Name: [3-(4-fluorophenyl)-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-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
• SMILES: COc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1.COc1cccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)c1.COc1ccccc1-c1cc(COC(=O)c2ccc(C)nc2)on1.Cc1ccc(C(=O)OCc2cc(-c3ccc(C(F)(F)F)cc3)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccc(F)cc3)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3C(F)(F)F)no2)cn1
• InChI: InChI=1S/2C18H13F3N2O3.3C18H16N2O4.C17H13FN2O3/c1-11-2-3-13(9-22-11)17(24)25-10-15-8-16(23-26-15)12-4-6-14(7-5-12)18(19,20)21;1-11-6-7-12(9-22-11)17(24)25-10-13-8-16(23-26-13)14-4-2-3-5-15(14)18(19,20)21;1-12-3-4-14(10-19-12)18(21)23-11-16-9-17(20-24-16)13-5-7-15(22-2)8-6-13;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;1-11-2-3-13(9-19-11)17(21)22-10-15-8-16(20-23-15)12-4-6-14(18)7-5-12/h2*2-9H,10H2,1H3;3*3-10H,11H2,1-2H3;2-9H,10H2,1H3
• InChIKey: MEBCSTLTSOMBBV-UHFFFAOYSA-N
• XLogP: 22.61
• TPSA: 419.01 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2009.92
LogP ≤ 5	22.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-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-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate?

The IUPAC name of [3-(4-fluorophenyl)-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-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate (CID 159539832) is [3-(4-fluorophenyl)-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-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate.

What is the SMILES notation for [3-(4-fluorophenyl)-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-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate?

The canonical SMILES for [3-(4-fluorophenyl)-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-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate is COc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1.COc1cccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)c1.COc1ccccc1-c1cc(COC(=O)c2ccc(C)nc2)on1.Cc1ccc(C(=O)OCc2cc(-c3ccc(C(F)(F)F)cc3)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccc(F)cc3)no2)cn1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3C(F)(F)F)no2)cn1.

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

The InChIKey is MEBCSTLTSOMBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H13F3N2O3.3C18H16N2O4.C17H13FN2O3/c1-11-2-3-13(9-22-11)17(24)25-10-15-8-16(23-26-15)12-4-6-14(7-5-12)18(19,20)21;1-11-6-7-12(9-22-11)17(24)25-10-13-8-16(23-26-13)14-4-2-3-5-15(14)18(19,20)21;1-12-3-4-14(10-19-12)18(21)23-11-16-9-17(20-24-16)13-5-7-15(22-2)8-6-13;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;1-11-2-3-13(9-19-11)17(21)22-10-15-8-16(20-23-15)12-4-6-14(18)7-5-12/h2*2-9H,10H2,1H3;3*3-10H,11H2,1-2H3;2-9H,10H2,1H3.

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

[3-(4-fluorophenyl)-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-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate has a molecular weight of 2009.92 g/mol, XLogP of 22.61, 27 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-fluorophenyl)-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-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate;[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 159539832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).