3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride

C13H20ClN5O3 — CID 120855737

IUPAC3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
SMILESCC1(C)NC(=O)N(Cc2nc(C3(N)CCCC3)no2)C1=O.Cl
InChIInChI=1S/C13H19N5O3.ClH/c1-12(2)10(19)18(11(20)16-12)7-8-15-9(17-21-8)13(14)5-3-4-6-13;/h3-7,14H2,1-2H3,(H,16,20);1H
InChIKeyJBTHIUMRPRTVSM-UHFFFAOYSA-N
MW329.79 g/mol
LogP1.05
Rot. Bonds3

About 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride

3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride (PubChem CID 120855737) has the molecular formula C13H20ClN5O3 and a molecular weight of 329.79 g/mol. Its IUPAC name is 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
PubChem CID120855737
Molecular FormulaC13H20ClN5O3
Molecular Weight329.79 g/mol
Exact Mass329.13
IUPAC Name3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
SMILESCC1(C)NC(=O)N(Cc2nc(C3(N)CCCC3)no2)C1=O.Cl
InChIInChI=1S/C13H19N5O3.ClH/c1-12(2)10(19)18(11(20)16-12)7-8-15-9(17-21-8)13(14)5-3-4-6-13;/h3-7,14H2,1-2H3,(H,16,20);1H
InChIKeyJBTHIUMRPRTVSM-UHFFFAOYSA-N
XLogP1.05
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120861919
3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120853033
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 120861034
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120863381
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 120862676
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride
CID 120850991
2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 120864329
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2,5-dione;hydrochloride
CID 120851273
3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride
CID 120851157
1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride
CID 120856030
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride (CID 120855737) is 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride is CC1(C)NC(=O)N(Cc2nc(C3(N)CCCC3)no2)C1=O.Cl.
What is the InChIKey of 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?
The InChIKey is JBTHIUMRPRTVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3.ClH/c1-12(2)10(19)18(11(20)16-12)7-8-15-9(17-21-8)13(14)5-3-4-6-13;/h3-7,14H2,1-2H3,(H,16,20);1H.
What are the key properties of 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?
3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride has a molecular weight of 329.79 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 120855737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).