3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

C20H22N4O3 — CID 95797361

About 3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 95797361) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 95797361
• Molecular Formula: C20H22N4O3
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.17
• IUPAC Name: 3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
• SMILES: Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)CCc3ccco3)C2)on1
• InChI: InChI=1S/C20H22N4O3/c1-14-10-18(27-23-14)17-11-21-13-22-20(17)15-4-2-8-24(12-15)19(25)7-6-16-5-3-9-26-16/h3,5,9-11,13,15H,2,4,6-8,12H2,1H3/t15-/m1/s1
• InChIKey: FWGSAUWIIDXZMK-OAHLLOKOSA-N
• XLogP: 3.37
• TPSA: 85.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (CID 95797361) is 3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)CCc3ccco3)C2)on1.

What is the InChIKey of 3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

The InChIKey is FWGSAUWIIDXZMK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-10-18(27-23-14)17-11-21-13-22-20(17)15-4-2-8-24(12-15)19(25)7-6-16-5-3-9-26-16/h3,5,9-11,13,15H,2,4,6-8,12H2,1H3/t15-/m1/s1.

What are the key properties of 3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 366.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95797361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).