5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one

C26H32N6O4S — CID 75251958

About 5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one

5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (PubChem CID 75251958) has the molecular formula C26H32N6O4S and a molecular weight of 524.65 g/mol. Its IUPAC name is 5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one.

Molecular Properties

• Compound Name: 5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
• PubChem CID: 75251958
• Molecular Formula: C26H32N6O4S
• Molecular Weight: 524.65 g/mol
• Exact Mass: 524.22
• IUPAC Name: 5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
• SMILES: CN1CC(Nc2nc(N3CCC(Oc4ccc(C5=NCCO5)cc4)CC3)nc3c2S(=O)CC3)CCC1=O
• InChI: InChI=1S/C26H32N6O4S/c1-31-16-18(4-7-22(31)33)28-24-23-21(10-15-37(23)34)29-26(30-24)32-12-8-20(9-13-32)36-19-5-2-17(3-6-19)25-27-11-14-35-25/h2-3,5-6,18,20H,4,7-16H2,1H3,(H,28,29,30)
• InChIKey: XVDOTMWKJLSSQL-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 109.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.65
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?

The IUPAC name of 5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (CID 75251958) is 5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one.

What is the SMILES notation for 5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?

The canonical SMILES for 5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one is CN1CC(Nc2nc(N3CCC(Oc4ccc(C5=NCCO5)cc4)CC3)nc3c2S(=O)CC3)CCC1=O.

What is the InChIKey of 5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?

The InChIKey is XVDOTMWKJLSSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4S/c1-31-16-18(4-7-22(31)33)28-24-23-21(10-15-37(23)34)29-26(30-24)32-12-8-20(9-13-32)36-19-5-2-17(3-6-19)25-27-11-14-35-25/h2-3,5-6,18,20H,4,7-16H2,1H3,(H,28,29,30).

What are the key properties of 5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?

5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one has a molecular weight of 524.65 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 75251958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).