4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile

C15H13N3O4 — CID 122274753

IUPAC4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)N2CC(CN3C(=O)COC3=O)C2)cc1
InChIInChI=1S/C15H13N3O4/c16-5-10-1-3-12(4-2-10)14(20)17-6-11(7-17)8-18-13(19)9-22-15(18)21/h1-4,11H,6-9H2
InChIKeyXWRHZMYYRCONGL-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.61
Rot. Bonds3

About 4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile

4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile (PubChem CID 122274753) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile
PubChem CID122274753
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)N2CC(CN3C(=O)COC3=O)C2)cc1
InChIInChI=1S/C15H13N3O4/c16-5-10-1-3-12(4-2-10)14(20)17-6-11(7-17)8-18-13(19)9-22-15(18)21/h1-4,11H,6-9H2
InChIKeyXWRHZMYYRCONGL-UHFFFAOYSA-N
XLogP0.61
TPSA90.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022578
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]-N,N-dimethylbenzenesulfonamide
CID 122274818
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-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022585
3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274940
3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274782
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
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 4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile?
The IUPAC name of 4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile (CID 122274753) is 4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile?
The canonical SMILES for 4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile is N#Cc1ccc(C(=O)N2CC(CN3C(=O)COC3=O)C2)cc1.
What is the InChIKey of 4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile?
The InChIKey is XWRHZMYYRCONGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c16-5-10-1-3-12(4-2-10)14(20)17-6-11(7-17)8-18-13(19)9-22-15(18)21/h1-4,11H,6-9H2.
What are the key properties of 4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile?
4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile has a molecular weight of 299.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 122274753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).