2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C13H19N5O4 — CID 77086666

IUPAC2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC(C)Cc1noc(CN(C)C(=O)CC2NC(=O)NC2=O)n1
InChIInChI=1S/C13H19N5O4/c1-7(2)4-9-15-10(22-17-9)6-18(3)11(19)5-8-12(20)16-13(21)14-8/h7-8H,4-6H2,1-3H3,(H2,14,16,20,21)
InChIKeyBMYGNUDRNXCGEL-UHFFFAOYSA-N
MW309.33 g/mol
LogP-0.18
Rot. Bonds6

About 2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 77086666) has the molecular formula C13H19N5O4 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID77086666
Molecular FormulaC13H19N5O4
Molecular Weight309.33 g/mol
Exact Mass309.14
IUPAC Name2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC(C)Cc1noc(CN(C)C(=O)CC2NC(=O)NC2=O)n1
InChIInChI=1S/C13H19N5O4/c1-7(2)4-9-15-10(22-17-9)6-18(3)11(19)5-8-12(20)16-13(21)14-8/h7-8H,4-6H2,1-3H3,(H2,14,16,20,21)
InChIKeyBMYGNUDRNXCGEL-UHFFFAOYSA-N
XLogP-0.18
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 77086666) is 2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is CC(C)Cc1noc(CN(C)C(=O)CC2NC(=O)NC2=O)n1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is BMYGNUDRNXCGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O4/c1-7(2)4-9-15-10(22-17-9)6-18(3)11(19)5-8-12(20)16-13(21)14-8/h7-8H,4-6H2,1-3H3,(H2,14,16,20,21).
What are the key properties of 2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 309.33 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 77086666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).