3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]

C20H20FN3O2 — CID 131672572

About 3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]

3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] (PubChem CID 131672572) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine].

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]
• PubChem CID: 131672572
• Molecular Formula: C20H20FN3O2
• Molecular Weight: 353.40 g/mol
• Exact Mass: 353.15
• IUPAC Name: 3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]
• SMILES: Fc1ccc(-c2cnc3n2CC2(CCN(Cc4ccoc4)C2)OC3)cc1
• InChI: InChI=1S/C20H20FN3O2/c21-17-3-1-16(2-4-17)18-9-22-19-12-26-20(14-24(18)19)6-7-23(13-20)10-15-5-8-25-11-15/h1-5,8-9,11H,6-7,10,12-14H2
• InChIKey: HPFNFMALHMIIRN-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 43.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.40
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?

The IUPAC name of 3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] (CID 131672572) is 3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine].

What is the SMILES notation for 3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?

The canonical SMILES for 3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] is Fc1ccc(-c2cnc3n2CC2(CCN(Cc4ccoc4)C2)OC3)cc1.

What is the InChIKey of 3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?

The InChIKey is HPFNFMALHMIIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-17-3-1-16(2-4-17)18-9-22-19-12-26-20(14-24(18)19)6-7-23(13-20)10-15-5-8-25-11-15/h1-5,8-9,11H,6-7,10,12-14H2.

What are the key properties of 3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?

3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] has a molecular weight of 353.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-1'-(furan-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] is sourced from PubChem (CID 131672572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).