2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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

C153H167F3N28O15 — CID 165004247

About 2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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 165004247) has the molecular formula C153H167F3N28O15 and a molecular weight of 2695.19 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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: 165004247
• Molecular Formula: C153H167F3N28O15
• Molecular Weight: 2695.19 g/mol
• Exact Mass: 2693.31
• IUPAC Name: 2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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: Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)nc2c1.Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)nc2n1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C(C)C)cc4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4F)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4F)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/C23H24FN3O2.2C22H23FN4O2.C22H24N4O2.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;2*1-14-10-19-21(24-13-14)25-22(29-19)27-8-6-26(7-9-27)20(28)12-17-5-4-16(11-18(17)23)15-2-3-15;1-15-2-9-19-21(23-15)24-22(28-19)26-12-10-25(11-13-26)20(27)14-16-3-5-17(6-4-16)18-7-8-18;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*4-5,10-11,13,15H,2-3,6-9,12H2,1H3;2-6,9,18H,7-8,10-14H2,1H3;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: ISISWGFWMXBGQX-UHFFFAOYSA-N
• XLogP: 23.99
• TPSA: 436.87 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2695.19
LogP ≤ 5	23.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

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-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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 165004247) is 2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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 Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)nc2c1.Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)nc2n1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C(C)C)cc4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4F)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4F)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-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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 ISISWGFWMXBGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2.2C22H23FN4O2.C22H24N4O2.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;2*1-14-10-19-21(24-13-14)25-22(29-19)27-8-6-26(7-9-27)20(28)12-17-5-4-16(11-18(17)23)15-2-3-15;1-15-2-9-19-21(23-15)24-22(28-19)26-12-10-25(11-13-26)20(27)14-16-3-5-17(6-4-16)18-7-8-18;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*4-5,10-11,13,15H,2-3,6-9,12H2,1H3;2-6,9,18H,7-8,10-14H2,1H3;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-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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 2695.19 g/mol, XLogP of 23.99, 27 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-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-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;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 165004247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).