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

C109H95F3N12O20 — CID 159294858

About [3-(4-ethylphenyl)-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;bis([3-(4-methylphenyl)-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-ethylphenyl)-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;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate (PubChem CID 159294858) has the molecular formula C109H95F3N12O20 and a molecular weight of 1950.02 g/mol. Its IUPAC name is [3-(4-ethylphenyl)-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;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-(4-ethylphenyl)-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;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
• PubChem CID: 159294858
• Molecular Formula: C109H95F3N12O20
• Molecular Weight: 1950.02 g/mol
• Exact Mass: 1948.67
• IUPAC Name: [3-(4-ethylphenyl)-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;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
• SMILES: CCc1ccc(-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(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3C(F)(F)F)no2)cn1
• InChI: InChI=1S/C19H18N2O3.C18H13F3N2O3.2C18H16N2O4.2C18H16N2O3/c1-3-14-5-8-15(9-6-14)18-10-17(24-21-18)12-23-19(22)16-7-4-13(2)20-11-16;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;1-12-6-7-14(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;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/h4-11H,3,12H2,1-2H3;2-9H,10H2,1H3;2*3-10H,11H2,1-2H3;2*3-10H,11H2,1-2H3
• InChIKey: LAOUSSZLQNPJOP-UHFFFAOYSA-N
• XLogP: 22.63
• TPSA: 409.78 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1950.02
LogP ≤ 5	22.63
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-(4-ethylphenyl)-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;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate?

The IUPAC name of [3-(4-ethylphenyl)-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;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate (CID 159294858) is [3-(4-ethylphenyl)-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;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate.

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

The canonical SMILES for [3-(4-ethylphenyl)-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;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate is CCc1ccc(-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(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(C(=O)OCc2cc(-c3ccccc3C(F)(F)F)no2)cn1.

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

The InChIKey is LAOUSSZLQNPJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3.C18H13F3N2O3.2C18H16N2O4.2C18H16N2O3/c1-3-14-5-8-15(9-6-14)18-10-17(24-21-18)12-23-19(22)16-7-4-13(2)20-11-16;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;1-12-6-7-14(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;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/h4-11H,3,12H2,1-2H3;2-9H,10H2,1H3;2*3-10H,11H2,1-2H3;2*3-10H,11H2,1-2H3.

What are the key properties of [3-(4-ethylphenyl)-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;bis([3-(4-methylphenyl)-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-ethylphenyl)-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;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate has a molecular weight of 1950.02 g/mol, XLogP of 22.63, 27 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-ethylphenyl)-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;bis([3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate);[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 159294858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).