(5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

C16H16N2O6 — CID 167832425

IUPAC(5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESCC1CC(OC(=O)c2cccc(CN3C(=O)CNC3=O)c2)C(=O)O1
InChIInChI=1S/C16H16N2O6/c1-9-5-12(15(21)23-9)24-14(20)11-4-2-3-10(6-11)8-18-13(19)7-17-16(18)22/h2-4,6,9,12H,5,7-8H2,1H3,(H,17,22)
InChIKeyCFPDLRYAYLWAIG-UHFFFAOYSA-N
MW332.31 g/mol
LogP0.60
Rot. Bonds4

About (5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

(5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (PubChem CID 167832425) has the molecular formula C16H16N2O6 and a molecular weight of 332.31 g/mol. Its IUPAC name is (5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name(5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
PubChem CID167832425
Molecular FormulaC16H16N2O6
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name(5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESCC1CC(OC(=O)c2cccc(CN3C(=O)CNC3=O)c2)C(=O)O1
InChIInChI=1S/C16H16N2O6/c1-9-5-12(15(21)23-9)24-14(20)11-4-2-3-10(6-11)8-18-13(19)7-17-16(18)22/h2-4,6,9,12H,5,7-8H2,1H3,(H,17,22)
InChIKeyCFPDLRYAYLWAIG-UHFFFAOYSA-N
XLogP0.60
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate with MolForge

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Related Compounds

3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 124614078
N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 33381394
(7-methoxy-2-oxochromen-4-yl)methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33070032
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46517172
[2-(4-methoxyanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33067922
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide
CID 32765766
(2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid
CID 119370008
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46517134
[2-(3-methoxyanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33067811
[(3R,5S)-5-methyl-2-oxooxolan-3-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 39963933
[4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33076527
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 32754604

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The IUPAC name of (5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (CID 167832425) is (5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.
What is the SMILES notation for (5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The canonical SMILES for (5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is CC1CC(OC(=O)c2cccc(CN3C(=O)CNC3=O)c2)C(=O)O1.
What is the InChIKey of (5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The InChIKey is CFPDLRYAYLWAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6/c1-9-5-12(15(21)23-9)24-14(20)11-4-2-3-10(6-11)8-18-13(19)7-17-16(18)22/h2-4,6,9,12H,5,7-8H2,1H3,(H,17,22).
What are the key properties of (5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
(5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate has a molecular weight of 332.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 167832425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).