4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide

C15H15N5O5 — CID 72852410

IUPAC4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide
SMILESCc1nonc1OCCNC(=O)c1ccc(N2CC(=O)NC2=O)cc1
InChIInChI=1S/C15H15N5O5/c1-9-14(19-25-18-9)24-7-6-16-13(22)10-2-4-11(5-3-10)20-8-12(21)17-15(20)23/h2-5H,6-8H2,1H3,(H,16,22)(H,17,21,23)
InChIKeyMGNRRVLBCNBEMZ-UHFFFAOYSA-N
MW345.32 g/mol
LogP0.24
Rot. Bonds6

About 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide

4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide (PubChem CID 72852410) has the molecular formula C15H15N5O5 and a molecular weight of 345.32 g/mol. Its IUPAC name is 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide.

Molecular Properties

Compound Name4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide
PubChem CID72852410
Molecular FormulaC15H15N5O5
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide
SMILESCc1nonc1OCCNC(=O)c1ccc(N2CC(=O)NC2=O)cc1
InChIInChI=1S/C15H15N5O5/c1-9-14(19-25-18-9)24-7-6-16-13(22)10-2-4-11(5-3-10)20-8-12(21)17-15(20)23/h2-5H,6-8H2,1H3,(H,16,22)(H,17,21,23)
InChIKeyMGNRRVLBCNBEMZ-UHFFFAOYSA-N
XLogP0.24
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide?
The IUPAC name of 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide (CID 72852410) is 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide.
What is the SMILES notation for 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide?
The canonical SMILES for 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide is Cc1nonc1OCCNC(=O)c1ccc(N2CC(=O)NC2=O)cc1.
What is the InChIKey of 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide?
The InChIKey is MGNRRVLBCNBEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O5/c1-9-14(19-25-18-9)24-7-6-16-13(22)10-2-4-11(5-3-10)20-8-12(21)17-15(20)23/h2-5H,6-8H2,1H3,(H,16,22)(H,17,21,23).
What are the key properties of 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide?
4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide has a molecular weight of 345.32 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide is sourced from PubChem (CID 72852410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).