5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one

C24H24F4N2O2 — CID 170160396

IUPAC5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one
SMILESO=C1N2C(CCC2c2cc(F)cc(F)c2)OC12CCN(CC(F)(F)c1ccccc1)CC2
InChIInChI=1S/C24H24F4N2O2/c25-18-12-16(13-19(26)14-18)20-6-7-21-30(20)22(31)23(32-21)8-10-29(11-9-23)15-24(27,28)17-4-2-1-3-5-17/h1-5,12-14,20-21H,6-11,15H2
InChIKeyPGKUDSIOPOLLIQ-UHFFFAOYSA-N
MW448.46 g/mol
LogP4.61
Rot. Bonds4

About 5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one

5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one (PubChem CID 170160396) has the molecular formula C24H24F4N2O2 and a molecular weight of 448.46 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one
PubChem CID170160396
Molecular FormulaC24H24F4N2O2
Molecular Weight448.46 g/mol
Exact Mass448.18
IUPAC Name5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one
SMILESO=C1N2C(CCC2c2cc(F)cc(F)c2)OC12CCN(CC(F)(F)c1ccccc1)CC2
InChIInChI=1S/C24H24F4N2O2/c25-18-12-16(13-19(26)14-18)20-6-7-21-30(20)22(31)23(32-21)8-10-29(11-9-23)15-24(27,28)17-4-2-1-3-5-17/h1-5,12-14,20-21H,6-11,15H2
InChIKeyPGKUDSIOPOLLIQ-UHFFFAOYSA-N
XLogP4.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one?
The IUPAC name of 5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one (CID 170160396) is 5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one.
What is the SMILES notation for 5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one?
The canonical SMILES for 5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one is O=C1N2C(CCC2c2cc(F)cc(F)c2)OC12CCN(CC(F)(F)c1ccccc1)CC2.
What is the InChIKey of 5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one?
The InChIKey is PGKUDSIOPOLLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N2O2/c25-18-12-16(13-19(26)14-18)20-6-7-21-30(20)22(31)23(32-21)8-10-29(11-9-23)15-24(27,28)17-4-2-1-3-5-17/h1-5,12-14,20-21H,6-11,15H2.
What are the key properties of 5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one?
5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one has a molecular weight of 448.46 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-1'-(2,2-difluoro-2-phenylethyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazole-2,4'-piperidine]-3-one is sourced from PubChem (CID 170160396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).