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

C₁₀₂H₇₇F₇N₁₂O₁₈ — CID 158814198

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

Methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate;methyl 3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate (PubChem CID 158814198) has the molecular formula C₁₀₂H₇₇F₇N₁₂O₁₈ and a molecular weight of 1891.79 g/mol. Its IUPAC name is methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate;methyl 3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate.

Molecular Properties

• Compound Name: Methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate;methyl 3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate
• PubChem CID: 158814198
• Molecular Formula: C₁₀₂H₇₇F₇N₁₂O₁₈
• Molecular Weight: 1891.79 g/mol
• Exact Mass: 1890.54
• IUPAC Name: methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate;methyl 3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate
• SMILES: COC(=O)c1ccc(-c2cnc(Nc3cccc(F)c3)o2)cc1.COC(=O)c1cccc(-c2cnc(Nc3c(F)cccc3F)o2)c1.COC(=O)c1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1.COC(=O)c1cccc(-c2cnc(Nc3ccc(F)cc3F)o2)c1.COC(=O)c1cccc(-c2cnc(Nc3cccc(F)c3)o2)c1.COC(=O)c1cccc(-c2cnc(Nc3ccccc3)o2)c1
• InChI: InChI=1S/2C17H12F2N2O3.3C17H13FN2O3.C17H14N2O3/c1-23-16(22)11-5-2-4-10(8-11)14-9-20-17(24-14)21-15-12(18)6-3-7-13(15)19;1-23-16(22)11-4-2-3-10(7-11)15-9-20-17(24-15)21-14-6-5-12(18)8-13(14)19;1-22-16(21)12-5-2-4-11(8-12)15-10-19-17(23-15)20-14-7-3-6-13(18)9-14;1-22-16(21)12-7-5-11(6-8-12)15-10-19-17(23-15)20-14-4-2-3-13(18)9-14;1-22-16(21)12-4-2-3-11(9-12)15-10-19-17(23-15)20-14-7-5-13(18)6-8-14;1-21-16(20)13-7-5-6-12(10-13)15-11-18-17(22-15)19-14-8-3-2-4-9-14/h2*2-9H,1H3,(H,20,21);3*2-10H,1H3,(H,19,20);2-11H,1H3,(H,18,19)
• InChIKey: IVBHOMZDKFREIH-UHFFFAOYSA-N
• XLogP: 24.20
• TPSA: 386.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1891.79
LogP ≤ 5	24.20
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-anilino-1,3-oxazol-5-yl)benzoate;methyl 3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate?

The IUPAC name of Methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate;methyl 3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate (CID 158814198) is methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate;methyl 3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate.

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

The canonical SMILES for Methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate;methyl 3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate is COC(=O)c1ccc(-c2cnc(Nc3cccc(F)c3)o2)cc1.COC(=O)c1cccc(-c2cnc(Nc3c(F)cccc3F)o2)c1.COC(=O)c1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1.COC(=O)c1cccc(-c2cnc(Nc3ccc(F)cc3F)o2)c1.COC(=O)c1cccc(-c2cnc(Nc3cccc(F)c3)o2)c1.COC(=O)c1cccc(-c2cnc(Nc3ccccc3)o2)c1.

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

The InChIKey is IVBHOMZDKFREIH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H12F2N2O3.3C17H13FN2O3.C17H14N2O3/c1-23-16(22)11-5-2-4-10(8-11)14-9-20-17(24-14)21-15-12(18)6-3-7-13(15)19;1-23-16(22)11-4-2-3-10(7-11)15-9-20-17(24-15)21-14-6-5-12(18)8-13(14)19;1-22-16(21)12-5-2-4-11(8-12)15-10-19-17(23-15)20-14-7-3-6-13(18)9-14;1-22-16(21)12-7-5-11(6-8-12)15-10-19-17(23-15)20-14-4-2-3-13(18)9-14;1-22-16(21)12-4-2-3-11(9-12)15-10-19-17(23-15)20-14-7-5-13(18)6-8-14;1-21-16(20)13-7-5-6-12(10-13)15-11-18-17(22-15)19-14-8-3-2-4-9-14/h2*2-9H,1H3,(H,20,21);3*2-10H,1H3,(H,19,20);2-11H,1H3,(H,18,19).

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

Methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate;methyl 3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate has a molecular weight of 1891.79 g/mol, XLogP of 24.20, 24 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate;methyl 3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]benzoate is sourced from PubChem (CID 158814198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158814198 — identifiers, structure, computed properties (public domain)

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