[4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone

C29H28FN7O2 — CID 57433709

About [4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone

[4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 57433709) has the molecular formula C29H28FN7O2 and a molecular weight of 525.59 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
• PubChem CID: 57433709
• Molecular Formula: C29H28FN7O2
• Molecular Weight: 525.59 g/mol
• Exact Mass: 525.23
• IUPAC Name: [4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
• SMILES: CN(C)c1ccc(C(=O)N2CCC(Nc3nccc(-c4c(-c5ccc(F)cc5)nc5occn45)n3)CC2)cc1
• InChI: InChI=1S/C29H28FN7O2/c1-35(2)23-9-5-20(6-10-23)27(38)36-15-12-22(13-16-36)32-28-31-14-11-24(33-28)26-25(19-3-7-21(30)8-4-19)34-29-37(26)17-18-39-29/h3-11,14,17-18,22H,12-13,15-16H2,1-2H3,(H,31,32,33)
• InChIKey: YOSUODXDHHKERM-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 91.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.59
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?

The IUPAC name of [4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone (CID 57433709) is [4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone.

What is the SMILES notation for [4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?

The canonical SMILES for [4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCC(Nc3nccc(-c4c(-c5ccc(F)cc5)nc5occn45)n3)CC2)cc1.

What is the InChIKey of [4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?

The InChIKey is YOSUODXDHHKERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN7O2/c1-35(2)23-9-5-20(6-10-23)27(38)36-15-12-22(13-16-36)32-28-31-14-11-24(33-28)26-25(19-3-7-21(30)8-4-19)34-29-37(26)17-18-39-29/h3-11,14,17-18,22H,12-13,15-16H2,1-2H3,(H,31,32,33).

What are the key properties of [4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?

[4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 525.59 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 57433709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).