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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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).