3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione

C16H17BrN4O3 — CID 2563812

IUPAC3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O
InChIInChI=1S/C16H17BrN4O3/c1-3-16(4-2)14(22)21(15(23)18-16)9-12-19-20-13(24-12)10-7-5-6-8-11(10)17/h5-8H,3-4,9H2,1-2H3,(H,18,23)
InChIKeyJXHNGAMTJSRWGL-UHFFFAOYSA-N
MW393.24 g/mol
LogP3.11
Rot. Bonds5

About 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione

3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione (PubChem CID 2563812) has the molecular formula C16H17BrN4O3 and a molecular weight of 393.24 g/mol. Its IUPAC name is 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione
PubChem CID2563812
Molecular FormulaC16H17BrN4O3
Molecular Weight393.24 g/mol
Exact Mass392.05
IUPAC Name3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O
InChIInChI=1S/C16H17BrN4O3/c1-3-16(4-2)14(22)21(15(23)18-16)9-12-19-20-13(24-12)10-7-5-6-8-11(10)17/h5-8H,3-4,9H2,1-2H3,(H,18,23)
InChIKeyJXHNGAMTJSRWGL-UHFFFAOYSA-N
XLogP3.11
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.11
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

3-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-phenethyl-hydantoin
CID 2998151
3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2999215
3-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2999998
1-[2-[[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 9394264
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide
CID 2531489
2-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4690885
2-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 17526639
4-[[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
CID 17563393
4-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
CID 26623780
1-[1-[[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]imidazolidin-2-one
CID 56821568
N-((3S*,4R*)-1-{[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-propyl-3-pyrrolidinyl)acetamide
CID 70733335
N-{(3S*,4R*)-4-isopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl}acetamide
CID 72920275

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione (CID 2563812) is 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione is CCC1(CC)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O.
What is the InChIKey of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is JXHNGAMTJSRWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O3/c1-3-16(4-2)14(22)21(15(23)18-16)9-12-19-20-13(24-12)10-7-5-6-8-11(10)17/h5-8H,3-4,9H2,1-2H3,(H,18,23).
What are the key properties of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione?
3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 393.24 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-diethylimidazolidine-2,4-dione is sourced from PubChem (CID 2563812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).