methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate

C102H72F12N12O18 — CID 158016273

About methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate

methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate (PubChem CID 158016273) has the molecular formula C102H72F12N12O18 and a molecular weight of 1981.74 g/mol. Its IUPAC name is methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate.

Molecular Properties

• Compound Name: methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate
• PubChem CID: 158016273
• Molecular Formula: C102H72F12N12O18
• Molecular Weight: 1981.74 g/mol
• Exact Mass: 1980.49
• IUPAC Name: methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate
• SMILES: COC(=O)c1ccc(-c2cnc(Nc3cc(F)ccc3F)o2)cc1.COC(=O)c1ccc(-c2cnc(Nc3ccc(F)cc3F)o2)cc1.COC(=O)c1ccc(-c2cnc(Nc3ccccc3F)o2)cc1.COC(=O)c1cccc(-c2cnc(Nc3c(F)cc(F)cc3F)o2)c1.COC(=O)c1cccc(-c2cnc(Nc3cc(F)ccc3F)o2)c1.COC(=O)c1cccc(-c2cnc(Nc3cccc(F)c3F)o2)c1
• InChI: InChI=1S/C17H11F3N2O3.4C17H12F2N2O3.C17H13FN2O3/c1-24-16(23)10-4-2-3-9(5-10)14-8-21-17(25-14)22-15-12(19)6-11(18)7-13(15)20;1-23-16(22)11-4-2-10(3-5-11)15-9-20-17(24-15)21-14-7-6-12(18)8-13(14)19;1-23-16(22)11-4-2-10(3-5-11)15-9-20-17(24-15)21-14-8-12(18)6-7-13(14)19;1-23-16(22)11-5-2-4-10(8-11)14-9-20-17(24-14)21-13-7-3-6-12(18)15(13)19;1-23-16(22)11-4-2-3-10(7-11)15-9-20-17(24-15)21-14-8-12(18)5-6-13(14)19;1-22-16(21)12-8-6-11(7-9-12)15-10-19-17(23-15)20-14-5-3-2-4-13(14)18/h2-8H,1H3,(H,21,22);4*2-9H,1H3,(H,20,21);2-10H,1H3,(H,19,20)
• InChIKey: FFMTZVAPKGVVPG-UHFFFAOYSA-N
• XLogP: 24.90
• TPSA: 386.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1981.74
LogP ≤ 5	24.90
H-Bond Donors ≤ 5	6
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 methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate?

The IUPAC name of methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate (CID 158016273) is methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate.

What is the SMILES notation for methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate?

The canonical SMILES for methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate is COC(=O)c1ccc(-c2cnc(Nc3cc(F)ccc3F)o2)cc1.COC(=O)c1ccc(-c2cnc(Nc3ccc(F)cc3F)o2)cc1.COC(=O)c1ccc(-c2cnc(Nc3ccccc3F)o2)cc1.COC(=O)c1cccc(-c2cnc(Nc3c(F)cc(F)cc3F)o2)c1.COC(=O)c1cccc(-c2cnc(Nc3cc(F)ccc3F)o2)c1.COC(=O)c1cccc(-c2cnc(Nc3cccc(F)c3F)o2)c1.

What is the InChIKey of methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate?

The InChIKey is FFMTZVAPKGVVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O3.4C17H12F2N2O3.C17H13FN2O3/c1-24-16(23)10-4-2-3-9(5-10)14-8-21-17(25-14)22-15-12(19)6-11(18)7-13(15)20;1-23-16(22)11-4-2-10(3-5-11)15-9-20-17(24-15)21-14-7-6-12(18)8-13(14)19;1-23-16(22)11-4-2-10(3-5-11)15-9-20-17(24-15)21-14-8-12(18)6-7-13(14)19;1-23-16(22)11-5-2-4-10(8-11)14-9-20-17(24-14)21-13-7-3-6-12(18)15(13)19;1-23-16(22)11-4-2-3-10(7-11)15-9-20-17(24-15)21-14-8-12(18)5-6-13(14)19;1-22-16(21)12-8-6-11(7-9-12)15-10-19-17(23-15)20-14-5-3-2-4-13(14)18/h2-8H,1H3,(H,21,22);4*2-9H,1H3,(H,20,21);2-10H,1H3,(H,19,20).

What are the key properties of methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate?

methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate has a molecular weight of 1981.74 g/mol, XLogP of 24.90, 24 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate is sourced from PubChem (CID 158016273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).