2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone

C110H121F2N19O11 — CID 164969643

About 2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone

2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 164969643) has the molecular formula C110H121F2N19O11 and a molecular weight of 1923.30 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
• PubChem CID: 164969643
• Molecular Formula: C110H121F2N19O11
• Molecular Weight: 1923.30 g/mol
• Exact Mass: 1921.95
• IUPAC Name: 2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
• SMILES: Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4F)CC3)oc2c1.Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)nc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C(C)C)cc4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(N(C)C)cc4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Oc4ccc(C5CC5)cc4)CC3)oc2c1
• InChI: InChI=1S/2C23H24FN3O2.C22H26N4O2.C21H25N5O2.C21H22N4O3/c1-15-2-7-21-20(12-15)25-23(29-21)27-10-8-26(9-11-27)22(28)14-16-3-6-18(17-4-5-17)19(24)13-16;1-15-2-7-20-21(12-15)29-23(25-20)27-10-8-26(9-11-27)22(28)14-18-6-5-17(13-19(18)24)16-3-4-16;1-15(2)18-6-4-17(5-7-18)13-20(27)25-8-10-26(11-9-25)22-24-21-19(28-22)12-16(3)14-23-21;1-15-12-18-20(22-14-15)23-21(28-18)26-10-8-25(9-11-26)19(27)13-16-4-6-17(7-5-16)24(2)3;1-14-12-18-19(22-13-14)23-20(28-18)24-8-10-25(11-9-24)21(26)27-17-6-4-16(5-7-17)15-2-3-15/h2-3,6-7,12-13,17H,4-5,8-11,14H2,1H3;2,5-7,12-13,16H,3-4,8-11,14H2,1H3;4-7,12,14-15H,8-11,13H2,1-3H3;4-7,12,14H,8-11,13H2,1-3H3;4-7,12-13,15H,2-3,8-11H2,1H3
• InChIKey: CYFPIXJCZPHVHY-UHFFFAOYSA-N
• XLogP: 17.85
• TPSA: 299.04 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1923.30
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?

The IUPAC name of 2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone (CID 164969643) is 2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone.

What is the SMILES notation for 2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?

The canonical SMILES for 2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone is Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4F)CC3)oc2c1.Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)nc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C(C)C)cc4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(N(C)C)cc4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Oc4ccc(C5CC5)cc4)CC3)oc2c1.

What is the InChIKey of 2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?

The InChIKey is CYFPIXJCZPHVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24FN3O2.C22H26N4O2.C21H25N5O2.C21H22N4O3/c1-15-2-7-21-20(12-15)25-23(29-21)27-10-8-26(9-11-27)22(28)14-16-3-6-18(17-4-5-17)19(24)13-16;1-15-2-7-20-21(12-15)29-23(25-20)27-10-8-26(9-11-27)22(28)14-18-6-5-17(13-19(18)24)16-3-4-16;1-15(2)18-6-4-17(5-7-18)13-20(27)25-8-10-26(11-9-25)22-24-21-19(28-22)12-16(3)14-23-21;1-15-12-18-20(22-14-15)23-21(28-18)26-10-8-25(9-11-26)19(27)13-16-4-6-17(7-5-16)24(2)3;1-14-12-18-19(22-13-14)23-20(28-18)24-8-10-25(11-9-24)21(26)27-17-6-4-16(5-7-17)15-2-3-15/h2-3,6-7,12-13,17H,4-5,8-11,14H2,1H3;2,5-7,12-13,16H,3-4,8-11,14H2,1H3;4-7,12,14-15H,8-11,13H2,1-3H3;4-7,12,14H,8-11,13H2,1-3H3;4-7,12-13,15H,2-3,8-11H2,1H3.

What are the key properties of 2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?

2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 1923.30 g/mol, XLogP of 17.85, 19 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;(4-cyclopropylphenyl) 4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate;2-[4-(dimethylamino)phenyl]-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 164969643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).