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

C16H17ClN4O3 — CID 120850991

IUPAC2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride
SMILESCl.NC1(c2noc(CN3C(=O)c4ccccc4C3=O)n2)CCCC1
InChIInChI=1S/C16H16N4O3.ClH/c17-16(7-3-4-8-16)15-18-12(23-19-15)9-20-13(21)10-5-1-2-6-11(10)14(20)22;/h1-2,5-6H,3-4,7-9,17H2;1H
InChIKeyNBNKELOWUHRUSJ-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.02
Rot. Bonds3

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

2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride (PubChem CID 120850991) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride
PubChem CID120850991
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride
SMILESCl.NC1(c2noc(CN3C(=O)c4ccccc4C3=O)n2)CCCC1
InChIInChI=1S/C16H16N4O3.ClH/c17-16(7-3-4-8-16)15-18-12(23-19-15)9-20-13(21)10-5-1-2-6-11(10)14(20)22;/h1-2,5-6H,3-4,7-9,17H2;1H
InChIKeyNBNKELOWUHRUSJ-UHFFFAOYSA-N
XLogP2.02
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride with MolForge

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Related Compounds

4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-benzoxazin-3-one;hydrochloride
CID 120853943
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120861919
2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 120864329
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
CID 18147318
1-[5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856620
1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 79212212
2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
CID 91811095
3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 120855737
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 120861034
1-[5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862029
3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120853033
4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-7-bromo-1,4-benzoxazin-3-one;hydrochloride
CID 120856171

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride (CID 120850991) is 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride is Cl.NC1(c2noc(CN3C(=O)c4ccccc4C3=O)n2)CCCC1.
What is the InChIKey of 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride?
The InChIKey is NBNKELOWUHRUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3.ClH/c17-16(7-3-4-8-16)15-18-12(23-19-15)9-20-13(21)10-5-1-2-6-11(10)14(20)22;/h1-2,5-6H,3-4,7-9,17H2;1H.
What are the key properties of 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride?
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride has a molecular weight of 348.79 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 120850991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).