4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine

C23H22F2N6O3 — CID 118965719

About 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine

4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine (PubChem CID 118965719) has the molecular formula C23H22F2N6O3 and a molecular weight of 468.46 g/mol. Its IUPAC name is 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine.

Molecular Properties

• Compound Name: 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine
• PubChem CID: 118965719
• Molecular Formula: C23H22F2N6O3
• Molecular Weight: 468.46 g/mol
• Exact Mass: 468.17
• IUPAC Name: 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine
• SMILES: Fc1ccccc1Cn1nc(-c2ncc(F)c(OCCN3CCOCC3)n2)cc1-c1ccon1
• InChI: InChI=1S/C23H22F2N6O3/c24-17-4-2-1-3-16(17)15-31-21(19-5-9-34-29-19)13-20(28-31)22-26-14-18(25)23(27-22)33-12-8-30-6-10-32-11-7-30/h1-5,9,13-14H,6-8,10-12,15H2
• InChIKey: XWOZRFODXUXUNL-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 91.33 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.46
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine?

The IUPAC name of 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine (CID 118965719) is 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine.

What is the SMILES notation for 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine?

The canonical SMILES for 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine is Fc1ccccc1Cn1nc(-c2ncc(F)c(OCCN3CCOCC3)n2)cc1-c1ccon1.

What is the InChIKey of 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine?

The InChIKey is XWOZRFODXUXUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O3/c24-17-4-2-1-3-16(17)15-31-21(19-5-9-34-29-19)13-20(28-31)22-26-14-18(25)23(27-22)33-12-8-30-6-10-32-11-7-30/h1-5,9,13-14H,6-8,10-12,15H2.

What are the key properties of 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine?

4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine has a molecular weight of 468.46 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine is sourced from PubChem (CID 118965719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).