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

C23H21F2N5O3 — CID 171541355

IUPAC3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2c(F)cc(N3CC(Nc4nnc(Cc5ccccc5)o4)C3)cc2F)C(=O)N1
InChIInChI=1S/C23H21F2N5O3/c24-17-9-15(10-18(25)21(17)16-6-7-19(31)27-22(16)32)30-11-14(12-30)26-23-29-28-20(33-23)8-13-4-2-1-3-5-13/h1-5,9-10,14,16H,6-8,11-12H2,(H,26,29)(H,27,31,32)
InChIKeyOGTUEZHTKOVEIF-UHFFFAOYSA-N
MW453.45 g/mol
LogP2.76
Rot. Bonds6

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

3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione (PubChem CID 171541355) has the molecular formula C23H21F2N5O3 and a molecular weight of 453.45 g/mol. Its IUPAC name is 3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
PubChem CID171541355
Molecular FormulaC23H21F2N5O3
Molecular Weight453.45 g/mol
Exact Mass453.16
IUPAC Name3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2c(F)cc(N3CC(Nc4nnc(Cc5ccccc5)o4)C3)cc2F)C(=O)N1
InChIInChI=1S/C23H21F2N5O3/c24-17-9-15(10-18(25)21(17)16-6-7-19(31)27-22(16)32)30-11-14(12-30)26-23-29-28-20(33-23)8-13-4-2-1-3-5-13/h1-5,9-10,14,16H,6-8,11-12H2,(H,26,29)(H,27,31,32)
InChIKeyOGTUEZHTKOVEIF-UHFFFAOYSA-N
XLogP2.76
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione (CID 171541355) is 3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione is O=C1CCC(c2c(F)cc(N3CC(Nc4nnc(Cc5ccccc5)o4)C3)cc2F)C(=O)N1.
What is the InChIKey of 3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione?
The InChIKey is OGTUEZHTKOVEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O3/c24-17-9-15(10-18(25)21(17)16-6-7-19(31)27-22(16)32)30-11-14(12-30)26-23-29-28-20(33-23)8-13-4-2-1-3-5-13/h1-5,9-10,14,16H,6-8,11-12H2,(H,26,29)(H,27,31,32).
What are the key properties of 3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione?
3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione has a molecular weight of 453.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 171541355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).