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

C23H21F2N5O4 — CID 171541019

IUPAC3-[2,6-difluoro-4-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
SMILESCOc1ccc(-c2nnc(NC3CN(c4cc(F)c(C5CCC(=O)NC5=O)c(F)c4)C3)o2)cc1
InChIInChI=1S/C23H21F2N5O4/c1-33-15-4-2-12(3-5-15)22-28-29-23(34-22)26-13-10-30(11-13)14-8-17(24)20(18(25)9-14)16-6-7-19(31)27-21(16)32/h2-5,8-9,13,16H,6-7,10-11H2,1H3,(H,26,29)(H,27,31,32)
InChIKeyRJWSCTUUELEPCJ-UHFFFAOYSA-N
MW469.45 g/mol
LogP2.84
Rot. Bonds6

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

3-[2,6-difluoro-4-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 171541019) has the molecular formula C23H21F2N5O4 and a molecular weight of 469.45 g/mol. Its IUPAC name is 3-[2,6-difluoro-4-[3-[[5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID171541019
Molecular FormulaC23H21F2N5O4
Molecular Weight469.45 g/mol
Exact Mass469.16
IUPAC Name3-[2,6-difluoro-4-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
SMILESCOc1ccc(-c2nnc(NC3CN(c4cc(F)c(C5CCC(=O)NC5=O)c(F)c4)C3)o2)cc1
InChIInChI=1S/C23H21F2N5O4/c1-33-15-4-2-12(3-5-15)22-28-29-23(34-22)26-13-10-30(11-13)14-8-17(24)20(18(25)9-14)16-6-7-19(31)27-21(16)32/h2-5,8-9,13,16H,6-7,10-11H2,1H3,(H,26,29)(H,27,31,32)
InChIKeyRJWSCTUUELEPCJ-UHFFFAOYSA-N
XLogP2.84
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione (CID 171541019) is 3-[2,6-difluoro-4-[3-[[5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione is COc1ccc(-c2nnc(NC3CN(c4cc(F)c(C5CCC(=O)NC5=O)c(F)c4)C3)o2)cc1.
What is the InChIKey of 3-[2,6-difluoro-4-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is RJWSCTUUELEPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O4/c1-33-15-4-2-12(3-5-15)22-28-29-23(34-22)26-13-10-30(11-13)14-8-17(24)20(18(25)9-14)16-6-7-19(31)27-21(16)32/h2-5,8-9,13,16H,6-7,10-11H2,1H3,(H,26,29)(H,27,31,32).
What are the key properties of 3-[2,6-difluoro-4-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione?
3-[2,6-difluoro-4-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 469.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-difluoro-4-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171541019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).