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

C24H20F5N5O4 — CID 171541037

IUPAC3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
SMILESC[C@@H]1[C@@H](Nc2nnc(-c3ccc(OC(F)(F)F)cc3)o2)CN1c1cc(F)c(C2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C24H20F5N5O4/c1-11-18(30-23-33-32-22(37-23)12-2-4-14(5-3-12)38-24(27,28)29)10-34(11)13-8-16(25)20(17(26)9-13)15-6-7-19(35)31-21(15)36/h2-5,8-9,11,15,18H,6-7,10H2,1H3,(H,30,33)(H,31,35,36)/t11-,15?,18+/m1/s1
InChIKeyBFXCITLRIAUJBZ-JYXGGTNWSA-N
MW537.45 g/mol
LogP4.12
Rot. Bonds6

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

3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 171541037) has the molecular formula C24H20F5N5O4 and a molecular weight of 537.45 g/mol. Its IUPAC name is 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID171541037
Molecular FormulaC24H20F5N5O4
Molecular Weight537.45 g/mol
Exact Mass537.14
IUPAC Name3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
SMILESC[C@@H]1[C@@H](Nc2nnc(-c3ccc(OC(F)(F)F)cc3)o2)CN1c1cc(F)c(C2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C24H20F5N5O4/c1-11-18(30-23-33-32-22(37-23)12-2-4-14(5-3-12)38-24(27,28)29)10-34(11)13-8-16(25)20(17(26)9-13)15-6-7-19(35)31-21(15)36/h2-5,8-9,11,15,18H,6-7,10H2,1H3,(H,30,33)(H,31,35,36)/t11-,15?,18+/m1/s1
InChIKeyBFXCITLRIAUJBZ-JYXGGTNWSA-N
XLogP4.12
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]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-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)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-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione (CID 171541037) is 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)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-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)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-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione is C[C@@H]1[C@@H](Nc2nnc(-c3ccc(OC(F)(F)F)cc3)o2)CN1c1cc(F)c(C2CCC(=O)NC2=O)c(F)c1.
What is the InChIKey of 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is BFXCITLRIAUJBZ-JYXGGTNWSA-N. The full InChI is InChI=1S/C24H20F5N5O4/c1-11-18(30-23-33-32-22(37-23)12-2-4-14(5-3-12)38-24(27,28)29)10-34(11)13-8-16(25)20(17(26)9-13)15-6-7-19(35)31-21(15)36/h2-5,8-9,11,15,18H,6-7,10H2,1H3,(H,30,33)(H,31,35,36)/t11-,15?,18+/m1/s1.
What are the key properties of 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione?
3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 537.45 g/mol, XLogP of 4.12, 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-[(2R,3S)-2-methyl-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171541037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).