3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione

C22H19F2N5O3 — CID 171541175

IUPAC3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2c(F)cc(N3CC(Nc4nnc(-c5ccccc5)o4)C3)cc2F)C(=O)N1
InChIInChI=1S/C22H19F2N5O3/c23-16-8-14(9-17(24)19(16)15-6-7-18(30)26-20(15)31)29-10-13(11-29)25-22-28-27-21(32-22)12-4-2-1-3-5-12/h1-5,8-9,13,15H,6-7,10-11H2,(H,25,28)(H,26,30,31)
InChIKeyQFGIXTRHENYPTB-UHFFFAOYSA-N
MW439.42 g/mol
LogP2.84
Rot. Bonds5

About 3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione

3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 171541175) has the molecular formula C22H19F2N5O3 and a molecular weight of 439.42 g/mol. Its IUPAC name is 3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID171541175
Molecular FormulaC22H19F2N5O3
Molecular Weight439.42 g/mol
Exact Mass439.15
IUPAC Name3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2c(F)cc(N3CC(Nc4nnc(-c5ccccc5)o4)C3)cc2F)C(=O)N1
InChIInChI=1S/C22H19F2N5O3/c23-16-8-14(9-17(24)19(16)15-6-7-18(30)26-20(15)31)29-10-13(11-29)25-22-28-27-21(32-22)12-4-2-1-3-5-12/h1-5,8-9,13,15H,6-7,10-11H2,(H,25,28)(H,26,30,31)
InChIKeyQFGIXTRHENYPTB-UHFFFAOYSA-N
XLogP2.84
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione (CID 171541175) is 3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione is O=C1CCC(c2c(F)cc(N3CC(Nc4nnc(-c5ccccc5)o4)C3)cc2F)C(=O)N1.
What is the InChIKey of 3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is QFGIXTRHENYPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O3/c23-16-8-14(9-17(24)19(16)15-6-7-18(30)26-20(15)31)29-10-13(11-29)25-22-28-27-21(32-22)12-4-2-1-3-5-12/h1-5,8-9,13,15H,6-7,10-11H2,(H,25,28)(H,26,30,31).
What are the key properties of 3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione?
3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 439.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-difluoro-4-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171541175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).