3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C15H15BrN2O4 — CID 119105359

IUPAC3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(Cc1ccc(Br)cc1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C15H15BrN2O4/c16-12-3-1-10(2-4-12)5-13(19)17-6-11(7-17)8-18-14(20)9-22-15(18)21/h1-4,11H,5-9H2
InChIKeyWXTRITVSFBFOST-UHFFFAOYSA-N
MW367.20 g/mol
LogP1.43
Rot. Bonds4

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

3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 119105359) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is 3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID119105359
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC Name3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(Cc1ccc(Br)cc1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C15H15BrN2O4/c16-12-3-1-10(2-4-12)5-13(19)17-6-11(7-17)8-18-14(20)9-22-15(18)21/h1-4,11H,5-9H2
InChIKeyWXTRITVSFBFOST-UHFFFAOYSA-N
XLogP1.43
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 51.43
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
3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727878
3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274849
N-[2-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidin-1-yl]-2-oxoethyl]benzamide
CID 122274905
3-[[1-[3-(4-chlorophenyl)prop-2-enoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 171137356
3-[[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274806
N-[2-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122275004
3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274844
1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 79993868
3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022571
4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile
CID 122274753
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-bromophenyl)ethanone
CID 66212767

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 119105359) is 3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is O=C(Cc1ccc(Br)cc1)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of 3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is WXTRITVSFBFOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4/c16-12-3-1-10(2-4-12)5-13(19)17-6-11(7-17)8-18-14(20)9-22-15(18)21/h1-4,11H,5-9H2.
What are the key properties of 3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 367.20 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 119105359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).