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

C88H60Cl2F2N8O16 — CID 159790170

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

[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate (PubChem CID 159790170) has the molecular formula C88H60Cl2F2N8O16 and a molecular weight of 1594.39 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
• PubChem CID: 159790170
• Molecular Formula: C88H60Cl2F2N8O16
• Molecular Weight: 1594.39 g/mol
• Exact Mass: 1592.35
• IUPAC Name: [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
• SMILES: O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2ccc(F)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2ccccc2Cl)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2ccccc2F)no1)c1ccc(Oc2ccccc2)nc1
• InChI: InChI=1S/2C22H15ClN2O4.2C22H15FN2O4/c23-19-9-5-4-8-18(19)20-12-17(29-25-20)14-27-22(26)15-10-11-21(24-13-15)28-16-6-2-1-3-7-16;23-17-9-6-15(7-10-17)20-12-19(29-25-20)14-27-22(26)16-8-11-21(24-13-16)28-18-4-2-1-3-5-18;23-19-9-5-4-8-18(19)20-12-17(29-25-20)14-27-22(26)15-10-11-21(24-13-15)28-16-6-2-1-3-7-16;23-17-9-6-15(7-10-17)20-12-19(29-25-20)14-27-22(26)16-8-11-21(24-13-16)28-18-4-2-1-3-5-18/h4*1-13H,14H2
• InChIKey: NILOOQJRFNIELA-UHFFFAOYSA-N
• XLogP: 21.13
• TPSA: 297.80 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1594.39
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate (CID 159790170) is [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate.

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

The canonical SMILES for [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate is O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2ccc(F)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2ccccc2Cl)no1)c1ccc(Oc2ccccc2)nc1.O=C(OCc1cc(-c2ccccc2F)no1)c1ccc(Oc2ccccc2)nc1.

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

The InChIKey is NILOOQJRFNIELA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H15ClN2O4.2C22H15FN2O4/c23-19-9-5-4-8-18(19)20-12-17(29-25-20)14-27-22(26)15-10-11-21(24-13-15)28-16-6-2-1-3-7-16;23-17-9-6-15(7-10-17)20-12-19(29-25-20)14-27-22(26)16-8-11-21(24-13-16)28-18-4-2-1-3-5-18;23-19-9-5-4-8-18(19)20-12-17(29-25-20)14-27-22(26)15-10-11-21(24-13-15)28-16-6-2-1-3-7-16;23-17-9-6-15(7-10-17)20-12-19(29-25-20)14-27-22(26)16-8-11-21(24-13-16)28-18-4-2-1-3-5-18/h4*1-13H,14H2.

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

[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate has a molecular weight of 1594.39 g/mol, XLogP of 21.13, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate;[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 159790170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).