oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

C16H18N2O5 — CID 51075280

IUPACoxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESO=C(OCC1CCCO1)c1ccccc1CN1C(=O)CNC1=O
InChIInChI=1S/C16H18N2O5/c19-14-8-17-16(21)18(14)9-11-4-1-2-6-13(11)15(20)23-10-12-5-3-7-22-12/h1-2,4,6,12H,3,5,7-10H2,(H,17,21)
InChIKeyZHICJAMEFQVUTM-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.07
Rot. Bonds5

About oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (PubChem CID 51075280) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
PubChem CID51075280
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Nameoxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESO=C(OCC1CCCO1)c1ccccc1CN1C(=O)CNC1=O
InChIInChI=1S/C16H18N2O5/c19-14-8-17-16(21)18(14)9-11-4-1-2-6-13(11)15(20)23-10-12-5-3-7-22-12/h1-2,4,6,12H,3,5,7-10H2,(H,17,21)
InChIKeyZHICJAMEFQVUTM-UHFFFAOYSA-N
XLogP1.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210
(2-oxo-2-piperidin-1-ylethyl) 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 18133845
oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate
CID 104548522
2-O-(oxolan-2-ylmethyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6421085
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 24669491
3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 18135535
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 18141846
oxan-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271843
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 71885906
2-O-(oxolan-2-ylmethyl) 1-O-tetradecyl benzene-1,2-dicarboxylate
CID 6421095
[(2R)-oxolan-2-yl]methyl 2-benzamidobenzoate
CID 40820524
1-O-nonyl 2-O-(oxolan-2-ylmethyl) benzene-1,2-dicarboxylate
CID 6421096

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The IUPAC name of oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (CID 51075280) is oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.
What is the SMILES notation for oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The canonical SMILES for oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is O=C(OCC1CCCO1)c1ccccc1CN1C(=O)CNC1=O.
What is the InChIKey of oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The InChIKey is ZHICJAMEFQVUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c19-14-8-17-16(21)18(14)9-11-4-1-2-6-13(11)15(20)23-10-12-5-3-7-22-12/h1-2,4,6,12H,3,5,7-10H2,(H,17,21).
What are the key properties of oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate has a molecular weight of 318.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 51075280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).