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

C16H15N3O3 — CID 91811095

IUPAC2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc(C2CCCC2)no1
InChIInChI=1S/C16H15N3O3/c20-15-11-7-3-4-8-12(11)16(21)19(15)9-13-17-14(18-22-13)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyNICAZOSYCOMPTK-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.52
Rot. Bonds3

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

2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione (PubChem CID 91811095) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
PubChem CID91811095
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc(C2CCCC2)no1
InChIInChI=1S/C16H15N3O3/c20-15-11-7-3-4-8-12(11)16(21)19(15)9-13-17-14(18-22-13)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyNICAZOSYCOMPTK-UHFFFAOYSA-N
XLogP2.52
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one
CID 142140817
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
CID 18147318
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride
CID 120850991
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 55891990
[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone
CID 126775264
2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-one
CID 167850741
3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 71930493
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 65425762
1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one
CID 28872437
3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-5,6-dimethylpyrimidin-4-one
CID 126806195
4,4-difluoro-2-[[3-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1,3-dione
CID 166400752
2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione
CID 17380564

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione (CID 91811095) is 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1nc(C2CCCC2)no1.
What is the InChIKey of 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione?
The InChIKey is NICAZOSYCOMPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15-11-7-3-4-8-12(11)16(21)19(15)9-13-17-14(18-22-13)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2.
What are the key properties of 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione?
2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione has a molecular weight of 297.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 91811095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).