(4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one

C21H24F3NO3 — CID 164953510

IUPAC(4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one
SMILESO=C1C[C@H](CCC(=O)N2CC(c3ccc(C4CC(C(F)(F)F)C4)cc3)C2)CO1
InChIInChI=1S/C21H24F3NO3/c22-21(23,24)18-8-16(9-18)14-2-4-15(5-3-14)17-10-25(11-17)19(26)6-1-13-7-20(27)28-12-13/h2-5,13,16-18H,1,6-12H2/t13-,16?,18?/m0/s1
InChIKeyAVTVWFHGASMCRF-BELGNNRLSA-N
MW395.42 g/mol
LogP4.01
Rot. Bonds5

About (4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one

(4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one (PubChem CID 164953510) has the molecular formula C21H24F3NO3 and a molecular weight of 395.42 g/mol. Its IUPAC name is (4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one.

Molecular Properties

Compound Name(4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one
PubChem CID164953510
Molecular FormulaC21H24F3NO3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name(4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one
SMILESO=C1C[C@H](CCC(=O)N2CC(c3ccc(C4CC(C(F)(F)F)C4)cc3)C2)CO1
InChIInChI=1S/C21H24F3NO3/c22-21(23,24)18-8-16(9-18)14-2-4-15(5-3-14)17-10-25(11-17)19(26)6-1-13-7-20(27)28-12-13/h2-5,13,16-18H,1,6-12H2/t13-,16?,18?/m0/s1
InChIKeyAVTVWFHGASMCRF-BELGNNRLSA-N
XLogP4.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one with MolForge

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Related Compounds

(4S)-4-[3-[3-[4-(4-chloro-2-methylsulfonylphenyl)phenyl]azetidin-1-yl]-3-oxopropyl]oxolan-2-one
CID 165062437
(4S)-4-[3-oxo-3-[3-[5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]propyl]oxolan-2-one
CID 165090445
(4S)-4-[3-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]-3-oxopropyl]oxolan-2-one
CID 165010120
(4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 162746007
4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one
CID 146000553
(4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
CID 162745538
(4S)-4-[3-[3-[5-(2-chloro-4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]-3-oxopropyl]oxolan-2-one
CID 165049352
(4S)-4-[3-oxo-3-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]propyl]oxolan-2-one
CID 165062327
(4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
CID 162745729
4-[(3R)-1-(3-cyclopropylpropanoyl)piperidin-3-yl]benzoic acid
CID 97193946
5-[3-oxo-3-[3-[4-(1,2,2-trifluoroethyl)phenyl]azetidin-1-yl]propyl]pyrrolidin-2-one
CID 175404076
1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one
CID 166282479

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one?
The IUPAC name of (4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one (CID 164953510) is (4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one.
What is the SMILES notation for (4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one?
The canonical SMILES for (4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one is O=C1C[C@H](CCC(=O)N2CC(c3ccc(C4CC(C(F)(F)F)C4)cc3)C2)CO1.
What is the InChIKey of (4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one?
The InChIKey is AVTVWFHGASMCRF-BELGNNRLSA-N. The full InChI is InChI=1S/C21H24F3NO3/c22-21(23,24)18-8-16(9-18)14-2-4-15(5-3-14)17-10-25(11-17)19(26)6-1-13-7-20(27)28-12-13/h2-5,13,16-18H,1,6-12H2/t13-,16?,18?/m0/s1.
What are the key properties of (4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one?
(4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one has a molecular weight of 395.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one is sourced from PubChem (CID 164953510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).