4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine

C27H27FN6O4S — CID 71010374

About 4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine

4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine (PubChem CID 71010374) has the molecular formula C27H27FN6O4S and a molecular weight of 550.62 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
• PubChem CID: 71010374
• Molecular Formula: C27H27FN6O4S
• Molecular Weight: 550.62 g/mol
• Exact Mass: 550.18
• IUPAC Name: 4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
• SMILES: COc1cccc(S(=O)(=O)N2CCC(Nc3nccc(C4C(c5ccc(F)cc5)N=C5OC=CN54)n3)CC2)c1
• InChI: InChI=1S/C27H27FN6O4S/c1-37-21-3-2-4-22(17-21)39(35,36)33-13-10-20(11-14-33)30-26-29-12-9-23(31-26)25-24(18-5-7-19(28)8-6-18)32-27-34(25)15-16-38-27/h2-9,12,15-17,20,24-25H,10-11,13-14H2,1H3,(H,29,30,31)
• InChIKey: AUOOPLKCECTYJK-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 109.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.62
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?

The IUPAC name of 4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine (CID 71010374) is 4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine.

What is the SMILES notation for 4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?

The canonical SMILES for 4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine is COc1cccc(S(=O)(=O)N2CCC(Nc3nccc(C4C(c5ccc(F)cc5)N=C5OC=CN54)n3)CC2)c1.

What is the InChIKey of 4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?

The InChIKey is AUOOPLKCECTYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O4S/c1-37-21-3-2-4-22(17-21)39(35,36)33-13-10-20(11-14-33)30-26-29-12-9-23(31-26)25-24(18-5-7-19(28)8-6-18)32-27-34(25)15-16-38-27/h2-9,12,15-17,20,24-25H,10-11,13-14H2,1H3,(H,29,30,31).

What are the key properties of 4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?

4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine has a molecular weight of 550.62 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 71010374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).