4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone

C159H121ClF13N19O21 — CID 157392116

About 4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone

4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone (PubChem CID 157392116) has the molecular formula C159H121ClF13N19O21 and a molecular weight of 2916.26 g/mol. Its IUPAC name is 4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
• PubChem CID: 157392116
• Molecular Formula: C159H121ClF13N19O21
• Molecular Weight: 2916.26 g/mol
• Exact Mass: 2913.85
• IUPAC Name: 4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
• SMILES: CC(=O)c1cccc(-c2cnc(N(C)c3ccc(F)cc3)o2)c1.CC(=O)c1cccc(-c2cnc(N(c3ccc(F)cc3)C(C)C)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccc(C#N)cc3)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccc(Cl)cc3)o2)c1.CC(=O)c1ccccc1-c1cnc(Nc2cc(F)ccc2F)o1.COC(=O)c1ccc(-c2cnc(Nc3c(F)cc(F)cc3F)o2)cc1.COC(=O)c1ccc(-c2cnc(Nc3ccc(F)cc3)o2)cc1.COC(=O)c1ccc(-c2cnc(Nc3cccc(F)c3F)o2)cc1
• InChI: InChI=1S/C20H19FN2O2.C18H13F3N2O2.C18H15FN2O2.C18H13N3O2.C17H13ClN2O2.C17H11F3N2O3.C17H12F2N2O3.C17H12F2N2O2.C17H13FN2O3/c1-13(2)23(18-9-7-17(21)8-10-18)20-22-12-19(25-20)16-6-4-5-15(11-16)14(3)24;1-11(24)12-3-2-4-13(9-12)16-10-22-17(25-16)23-15-7-5-14(6-8-15)18(19,20)21;1-12(22)13-4-3-5-14(10-13)17-11-20-18(23-17)21(2)16-8-6-15(19)7-9-16;1-12(22)14-3-2-4-15(9-14)17-11-20-18(23-17)21-16-7-5-13(10-19)6-8-16;1-11(21)12-3-2-4-13(9-12)16-10-19-17(22-16)20-15-7-5-14(18)6-8-15;1-24-16(23)10-4-2-9(3-5-10)14-8-21-17(25-14)22-15-12(19)6-11(18)7-13(15)20;1-23-16(22)11-7-5-10(6-8-11)14-9-20-17(24-14)21-13-4-2-3-12(18)15(13)19;1-10(22)12-4-2-3-5-13(12)16-9-20-17(23-16)21-15-8-11(18)6-7-14(15)19;1-22-16(21)12-4-2-11(3-5-12)15-10-19-17(23-15)20-14-8-6-13(18)7-9-14/h4-13H,1-3H3;2-10H,1H3,(H,22,23);3-11H,1-2H3;2-9,11H,1H3,(H,20,21);2-10H,1H3,(H,19,20);2-8H,1H3,(H,21,22);2-9H,1H3,(H,20,21);2-9H,1H3,(H,20,21);2-10H,1H3,(H,19,20)
• InChIKey: BMDBGJBBJJIBCY-UHFFFAOYSA-N
• XLogP: 41.10
• TPSA: 530.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 37
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2916.26
LogP ≤ 5	41.10
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone?

The IUPAC name of 4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone (CID 157392116) is 4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone.

What is the SMILES notation for 4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone?

The canonical SMILES for 4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cnc(N(C)c3ccc(F)cc3)o2)c1.CC(=O)c1cccc(-c2cnc(N(c3ccc(F)cc3)C(C)C)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccc(C#N)cc3)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccc(Cl)cc3)o2)c1.CC(=O)c1ccccc1-c1cnc(Nc2cc(F)ccc2F)o1.COC(=O)c1ccc(-c2cnc(Nc3c(F)cc(F)cc3F)o2)cc1.COC(=O)c1ccc(-c2cnc(Nc3ccc(F)cc3)o2)cc1.COC(=O)c1ccc(-c2cnc(Nc3cccc(F)c3F)o2)cc1.

What is the InChIKey of 4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone?

The InChIKey is BMDBGJBBJJIBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2.C18H13F3N2O2.C18H15FN2O2.C18H13N3O2.C17H13ClN2O2.C17H11F3N2O3.C17H12F2N2O3.C17H12F2N2O2.C17H13FN2O3/c1-13(2)23(18-9-7-17(21)8-10-18)20-22-12-19(25-20)16-6-4-5-15(11-16)14(3)24;1-11(24)12-3-2-4-13(9-12)16-10-22-17(25-16)23-15-7-5-14(6-8-15)18(19,20)21;1-12(22)13-4-3-5-14(10-13)17-11-20-18(23-17)21(2)16-8-6-15(19)7-9-16;1-12(22)14-3-2-4-15(9-14)17-11-20-18(23-17)21-16-7-5-13(10-19)6-8-16;1-11(21)12-3-2-4-13(9-12)16-10-19-17(22-16)20-15-7-5-14(18)6-8-15;1-24-16(23)10-4-2-9(3-5-10)14-8-21-17(25-14)22-15-12(19)6-11(18)7-13(15)20;1-23-16(22)11-7-5-10(6-8-11)14-9-20-17(24-14)21-13-4-2-3-12(18)15(13)19;1-10(22)12-4-2-3-5-13(12)16-9-20-17(23-16)21-15-8-11(18)6-7-14(15)19;1-22-16(21)12-4-2-11(3-5-12)15-10-19-17(23-15)20-14-8-6-13(18)7-9-14/h4-13H,1-3H3;2-10H,1H3,(H,22,23);3-11H,1-2H3;2-9,11H,1H3,(H,20,21);2-10H,1H3,(H,19,20);2-8H,1H3,(H,21,22);2-9H,1H3,(H,20,21);2-9H,1H3,(H,20,21);2-10H,1H3,(H,19,20).

What are the key properties of 4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone?

4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone has a molecular weight of 2916.26 g/mol, XLogP of 41.10, 37 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-(3-acetylphenyl)-1,3-oxazol-2-yl]amino]benzonitrile;1-[3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoro-N-propan-2-ylanilino)-1,3-oxazol-5-yl]phenyl]ethanone;methyl 4-[2-(2,3-difluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate;1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone is sourced from PubChem (CID 157392116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).