3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C17H19FN2O4 — CID 122274849

IUPAC3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1cc(CCC(=O)N2CC(CN3C(=O)COC3=O)C2)ccc1F
InChIInChI=1S/C17H19FN2O4/c1-11-6-12(2-4-14(11)18)3-5-15(21)19-7-13(8-19)9-20-16(22)10-24-17(20)23/h2,4,6,13H,3,5,7-10H2,1H3
InChIKeyUUFBJYPUTAROML-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.50
Rot. Bonds5

About 3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 122274849) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID122274849
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1cc(CCC(=O)N2CC(CN3C(=O)COC3=O)C2)ccc1F
InChIInChI=1S/C17H19FN2O4/c1-11-6-12(2-4-14(11)18)3-5-15(21)19-7-13(8-19)9-20-16(22)10-24-17(20)23/h2,4,6,13H,3,5,7-10H2,1H3
InChIKeyUUFBJYPUTAROML-UHFFFAOYSA-N
XLogP1.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274844
3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 119105359
3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022574
3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274940
3-(4-fluoro-3-methylphenyl)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]propan-1-one
CID 121187398
3-[[1-[3-(4-chlorophenyl)prop-2-enoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 171137356
3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274782
1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155937
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(4-fluoro-3-methylphenyl)propan-1-one
CID 90586674
N-[2-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidin-1-yl]-2-oxoethyl]benzamide
CID 122274905
3-(4-fluoro-3-methylphenyl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
CID 121164901
1-[3-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 166623630

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 122274849) is 3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is Cc1cc(CCC(=O)N2CC(CN3C(=O)COC3=O)C2)ccc1F.
What is the InChIKey of 3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is UUFBJYPUTAROML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-11-6-12(2-4-14(11)18)3-5-15(21)19-7-13(8-19)9-20-16(22)10-24-17(20)23/h2,4,6,13H,3,5,7-10H2,1H3.
What are the key properties of 3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 334.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 122274849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).