3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C15H13F3N2O4 — CID 121022571

IUPAC3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C15H13F3N2O4/c16-15(17,18)11-3-1-10(2-4-11)13(22)19-5-9(6-19)7-20-12(21)8-24-14(20)23/h1-4,9H,5-8H2
InChIKeyAFWIGPLNWCPPCJ-UHFFFAOYSA-N
MW342.27 g/mol
LogP1.76
Rot. Bonds3

About 3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 121022571) has the molecular formula C15H13F3N2O4 and a molecular weight of 342.27 g/mol. Its IUPAC name is 3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID121022571
Molecular FormulaC15H13F3N2O4
Molecular Weight342.27 g/mol
Exact Mass342.08
IUPAC Name3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C15H13F3N2O4/c16-15(17,18)11-3-1-10(2-4-11)13(22)19-5-9(6-19)7-20-12(21)8-24-14(20)23/h1-4,9H,5-8H2
InChIKeyAFWIGPLNWCPPCJ-UHFFFAOYSA-N
XLogP1.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022578
4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile
CID 122274753
3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274988
4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 122274818
3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022585
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 106671798
3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274782
N-[2-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidin-1-yl]-2-oxoethyl]benzamide
CID 122274905
3-[[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274943
3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 119105359
3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274964
3-[[1-(2,3,4-trimethoxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274915

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 121022571) is 3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is O=C(c1ccc(C(F)(F)F)cc1)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of 3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is AFWIGPLNWCPPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4/c16-15(17,18)11-3-1-10(2-4-11)13(22)19-5-9(6-19)7-20-12(21)8-24-14(20)23/h1-4,9H,5-8H2.
What are the key properties of 3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 342.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121022571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).