1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone

C22H20N6O3 — CID 72944864

About 1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone

1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone (PubChem CID 72944864) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone
• PubChem CID: 72944864
• Molecular Formula: C22H20N6O3
• Molecular Weight: 416.44 g/mol
• Exact Mass: 416.16
• IUPAC Name: 1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone
• SMILES: O=C(Cn1cc(-c2cnc(-c3cccc(-c4cnco4)c3)nc2)cn1)N1CCOCC1
• InChI: InChI=1S/C22H20N6O3/c29-21(27-4-6-30-7-5-27)14-28-13-19(11-26-28)18-9-24-22(25-10-18)17-3-1-2-16(8-17)20-12-23-15-31-20/h1-3,8-13,15H,4-7,14H2
• InChIKey: QHJPSTPCWRGLSQ-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 99.17 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.44
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone?

The IUPAC name of 1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone (CID 72944864) is 1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone.

What is the SMILES notation for 1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone?

The canonical SMILES for 1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone is O=C(Cn1cc(-c2cnc(-c3cccc(-c4cnco4)c3)nc2)cn1)N1CCOCC1.

What is the InChIKey of 1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone?

The InChIKey is QHJPSTPCWRGLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c29-21(27-4-6-30-7-5-27)14-28-13-19(11-26-28)18-9-24-22(25-10-18)17-3-1-2-16(8-17)20-12-23-15-31-20/h1-3,8-13,15H,4-7,14H2.

What are the key properties of 1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone?

1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone has a molecular weight of 416.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 72944864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).