[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

C20H15ClN4O5 — CID 16611794

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESO=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C20H15ClN4O5/c21-15-7-5-13(6-8-15)18-24-23-16(30-18)11-29-19(27)14-3-1-12(2-4-14)10-25-17(26)9-22-20(25)28/h1-8H,9-11H2,(H,22,28)
InChIKeyPFJDBKIMVBHRIH-UHFFFAOYSA-N
MW426.82 g/mol
LogP2.80
Rot. Bonds6

About [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (PubChem CID 16611794) has the molecular formula C20H15ClN4O5 and a molecular weight of 426.82 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
PubChem CID16611794
Molecular FormulaC20H15ClN4O5
Molecular Weight426.82 g/mol
Exact Mass426.07
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESO=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C20H15ClN4O5/c21-15-7-5-13(6-8-15)18-24-23-16(30-18)11-29-19(27)14-3-1-12(2-4-14)10-25-17(26)9-22-20(25)28/h1-8H,9-11H2,(H,22,28)
InChIKeyPFJDBKIMVBHRIH-UHFFFAOYSA-N
XLogP2.80
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.82
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16602055
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
CID 7861717
benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 17454076
(5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 71900069
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014044
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,4-dimethoxybenzoate
CID 8010721
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(2-methylpropoxy)benzoate
CID 7194175
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 42972404
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204116
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 55322159
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951211
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-methylbenzoyl)benzoate
CID 2109285

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (CID 16611794) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The InChIKey is PFJDBKIMVBHRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O5/c21-15-7-5-13(6-8-15)18-24-23-16(30-18)11-29-19(27)14-3-1-12(2-4-14)10-25-17(26)9-22-20(25)28/h1-8H,9-11H2,(H,22,28).
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate has a molecular weight of 426.82 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 16611794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).