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

C17H19N5O4 — CID 72896150

IUPAC4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCCc1noc(CN(CC)C(=O)c2ccc(N3CC(=O)NC3=O)cc2)n1
InChIInChI=1S/C17H19N5O4/c1-3-13-18-15(26-20-13)10-21(4-2)16(24)11-5-7-12(8-6-11)22-9-14(23)19-17(22)25/h5-8H,3-4,9-10H2,1-2H3,(H,19,23,25)
InChIKeyZLYRLVJNSBGKJP-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.35
Rot. Bonds6

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

4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 72896150) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID72896150
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCCc1noc(CN(CC)C(=O)c2ccc(N3CC(=O)NC3=O)cc2)n1
InChIInChI=1S/C17H19N5O4/c1-3-13-18-15(26-20-13)10-21(4-2)16(24)11-5-7-12(8-6-11)22-9-14(23)19-17(22)25/h5-8H,3-4,9-10H2,1-2H3,(H,19,23,25)
InChIKeyZLYRLVJNSBGKJP-UHFFFAOYSA-N
XLogP1.35
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 118764526
1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 91795608
5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
CID 50975531
N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide
CID 118790425
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 56510089
4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835920
3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 72877003
(3R)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 154924589
4-tert-butyl-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835712
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70770191
N,N-diethyl-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 52587818
(3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97275350

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 72896150) is 4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is CCc1noc(CN(CC)C(=O)c2ccc(N3CC(=O)NC3=O)cc2)n1.
What is the InChIKey of 4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is ZLYRLVJNSBGKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-3-13-18-15(26-20-13)10-21(4-2)16(24)11-5-7-12(8-6-11)22-9-14(23)19-17(22)25/h5-8H,3-4,9-10H2,1-2H3,(H,19,23,25).
What are the key properties of 4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 357.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 72896150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).