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

C14H13BrN2O4 — CID 121022578

IUPAC3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1ccc(Br)cc1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C14H13BrN2O4/c15-11-3-1-10(2-4-11)13(19)16-5-9(6-16)7-17-12(18)8-21-14(17)20/h1-4,9H,5-8H2
InChIKeyCMIUCGKWNMKHBS-UHFFFAOYSA-N
MW353.17 g/mol
LogP1.50
Rot. Bonds3

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

3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 121022578) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is 3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID121022578
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1ccc(Br)cc1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C14H13BrN2O4/c15-11-3-1-10(2-4-11)13(19)16-5-9(6-16)7-17-12(18)8-21-14(17)20/h1-4,9H,5-8H2
InChIKeyCMIUCGKWNMKHBS-UHFFFAOYSA-N
XLogP1.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274988
3-[[1-(4-propan-2-yloxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274788
3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 119105359
4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 122274818
3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274940
3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022585
3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274782
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
3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 119105352

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 121022578) is 3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is O=C(c1ccc(Br)cc1)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of 3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is CMIUCGKWNMKHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c15-11-3-1-10(2-4-11)13(19)16-5-9(6-16)7-17-12(18)8-21-14(17)20/h1-4,9H,5-8H2.
What are the key properties of 3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 353.17 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121022578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).