[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;bis([3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl pyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate

C108H96N12O18 — CID 160844522

About [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;bis([3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl pyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate

[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;bis([3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl pyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate (PubChem CID 160844522) has the molecular formula C108H96N12O18 and a molecular weight of 1850.02 g/mol. Its IUPAC name is [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;bis([3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl pyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;bis([3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl pyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate
• PubChem CID: 160844522
• Molecular Formula: C108H96N12O18
• Molecular Weight: 1850.02 g/mol
• Exact Mass: 1848.70
• IUPAC Name: [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;bis([3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl pyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate
• SMILES: CC(C)(C)c1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1.CCc1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1.CCc1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1.Cc1cc(C)c(-c2cc(COC(=O)c3cccnc3)on2)c(C)c1.Cc1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1.O=C(OCc1cc(-c2ccccc2)no1)c1cccnc1
• InChI: InChI=1S/C20H20N2O3.C19H18N2O3.2C18H16N2O3.C17H14N2O3.C16H12N2O3/c1-20(2,3)16-8-6-14(7-9-16)18-11-17(25-22-18)13-24-19(23)15-5-4-10-21-12-15;1-12-7-13(2)18(14(3)8-12)17-9-16(24-21-17)11-23-19(22)15-5-4-6-20-10-15;2*1-2-13-5-7-14(8-6-13)17-10-16(23-20-17)12-22-18(21)15-4-3-9-19-11-15;1-12-4-6-13(7-5-12)16-9-15(22-19-16)11-21-17(20)14-3-2-8-18-10-14;19-16(13-7-4-8-17-10-13)20-11-14-9-15(18-21-14)12-5-2-1-3-6-12/h4-12H,13H2,1-3H3;4-10H,11H2,1-3H3;2*3-11H,2,12H2,1H3;2-10H,11H2,1H3;1-10H,11H2
• InChIKey: SILVPHULPLKUEH-UHFFFAOYSA-N
• XLogP: 22.22
• TPSA: 391.32 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1850.02
LogP ≤ 5	22.22
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-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;bis([3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl pyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate?

The IUPAC name of [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;bis([3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl pyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate (CID 160844522) is [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;bis([3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl pyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate.

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

The canonical SMILES for [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;bis([3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl pyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate is CC(C)(C)c1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1.CCc1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1.CCc1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1.Cc1cc(C)c(-c2cc(COC(=O)c3cccnc3)on2)c(C)c1.Cc1ccc(-c2cc(COC(=O)c3cccnc3)on2)cc1.O=C(OCc1cc(-c2ccccc2)no1)c1cccnc1.

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

The InChIKey is SILVPHULPLKUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3.C19H18N2O3.2C18H16N2O3.C17H14N2O3.C16H12N2O3/c1-20(2,3)16-8-6-14(7-9-16)18-11-17(25-22-18)13-24-19(23)15-5-4-10-21-12-15;1-12-7-13(2)18(14(3)8-12)17-9-16(24-21-17)11-23-19(22)15-5-4-6-20-10-15;2*1-2-13-5-7-14(8-6-13)17-10-16(23-20-17)12-22-18(21)15-4-3-9-19-11-15;1-12-4-6-13(7-5-12)16-9-15(22-19-16)11-21-17(20)14-3-2-8-18-10-14;19-16(13-7-4-8-17-10-13)20-11-14-9-15(18-21-14)12-5-2-1-3-6-12/h4-12H,13H2,1-3H3;4-10H,11H2,1-3H3;2*3-11H,2,12H2,1H3;2-10H,11H2,1H3;1-10H,11H2.

What are the key properties of [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;bis([3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl pyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate?

[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;bis([3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl pyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate has a molecular weight of 1850.02 g/mol, XLogP of 22.22, 26 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;bis([3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate);[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate;(3-phenyl-1,2-oxazol-5-yl)methyl pyridine-3-carboxylate;[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate is sourced from PubChem (CID 160844522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).