1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione

C15H13BrN4O5 — CID 112769685

IUPAC1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1Cc1nnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C15H13BrN4O5/c16-10-6-5-9(24-10)12-18-17-11(25-12)7-19-13(21)14(22)20(15(19)23)8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKeyQWCSBHUNIBMMSY-UHFFFAOYSA-N
MW409.20 g/mol
LogP2.33
Rot. Bonds4

About 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione

1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione (PubChem CID 112769685) has the molecular formula C15H13BrN4O5 and a molecular weight of 409.20 g/mol. Its IUPAC name is 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione
PubChem CID112769685
Molecular FormulaC15H13BrN4O5
Molecular Weight409.20 g/mol
Exact Mass408.01
IUPAC Name1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1Cc1nnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C15H13BrN4O5/c16-10-6-5-9(24-10)12-18-17-11(25-12)7-19-13(21)14(22)20(15(19)23)8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKeyQWCSBHUNIBMMSY-UHFFFAOYSA-N
XLogP2.33
TPSA109.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94015010
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 43441609
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60670196
2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 104975633
1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 7756296
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961309
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 112826249
1-cyclohexyl-3-[(2-methyltetrazol-5-yl)methyl]imidazolidine-2,4,5-trione
CID 99800793
2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid
CID 61071152
3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 42966453
2-[4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 18209846
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-5-(5-bromofuran-2-yl)-1,3,4-oxadiazole
CID 62394240

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione (CID 112769685) is 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione is O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1nnc(-c2ccc(Br)o2)o1.
What is the InChIKey of 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The InChIKey is QWCSBHUNIBMMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O5/c16-10-6-5-9(24-10)12-18-17-11(25-12)7-19-13(21)14(22)20(15(19)23)8-3-1-2-4-8/h5-6,8H,1-4,7H2.
What are the key properties of 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione has a molecular weight of 409.20 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione is sourced from PubChem (CID 112769685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).