[1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone

C22H26ClFN4O2 — CID 131650965

About [1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone

[1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 131650965) has the molecular formula C22H26ClFN4O2 and a molecular weight of 432.93 g/mol. Its IUPAC name is [1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 131650965
• Molecular Formula: C22H26ClFN4O2
• Molecular Weight: 432.93 g/mol
• Exact Mass: 432.17
• IUPAC Name: [1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
• SMILES: O=C(C1Cn2ccnc2C2(CCN(Cc3ccc(Cl)c(F)c3)CC2)O1)N1CCCC1
• InChI: InChI=1S/C22H26ClFN4O2/c23-17-4-3-16(13-18(17)24)14-26-10-5-22(6-11-26)21-25-7-12-28(21)15-19(30-22)20(29)27-8-1-2-9-27/h3-4,7,12-13,19H,1-2,5-6,8-11,14-15H2
• InChIKey: LWRHDFVRNSQBCT-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.93
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone (CID 131650965) is [1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone is O=C(C1Cn2ccnc2C2(CCN(Cc3ccc(Cl)c(F)c3)CC2)O1)N1CCCC1.

What is the InChIKey of [1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is LWRHDFVRNSQBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN4O2/c23-17-4-3-16(13-18(17)24)14-26-10-5-22(6-11-26)21-25-7-12-28(21)15-19(30-22)20(29)27-8-1-2-9-27/h3-4,7,12-13,19H,1-2,5-6,8-11,14-15H2.

What are the key properties of [1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone?

[1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 432.93 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131650965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).