5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

C20H22N4O4 — CID 120852858

IUPAC5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
SMILESNC1(c2noc(-c3ccc4c(c3)C(=O)N(CC3CCCO3)C4=O)n2)CCCC1
InChIInChI=1S/C20H22N4O4/c21-20(7-1-2-8-20)19-22-16(28-23-19)12-5-6-14-15(10-12)18(26)24(17(14)25)11-13-4-3-9-27-13/h5-6,10,13H,1-4,7-9,11,21H2
InChIKeyYNMWWGXKQQPCJD-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.24
Rot. Bonds4

About 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione (PubChem CID 120852858) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
PubChem CID120852858
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
SMILESNC1(c2noc(-c3ccc4c(c3)C(=O)N(CC3CCCO3)C4=O)n2)CCCC1
InChIInChI=1S/C20H22N4O4/c21-20(7-1-2-8-20)19-22-16(28-23-19)12-5-6-14-15(10-12)18(26)24(17(14)25)11-13-4-3-9-27-13/h5-6,10,13H,1-4,7-9,11,21H2
InChIKeyYNMWWGXKQQPCJD-UHFFFAOYSA-N
XLogP2.24
TPSA111.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione (CID 120852858) is 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione is NC1(c2noc(-c3ccc4c(c3)C(=O)N(CC3CCCO3)C4=O)n2)CCCC1.
What is the InChIKey of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The InChIKey is YNMWWGXKQQPCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c21-20(7-1-2-8-20)19-22-16(28-23-19)12-5-6-14-15(10-12)18(26)24(17(14)25)11-13-4-3-9-27-13/h5-6,10,13H,1-4,7-9,11,21H2.
What are the key properties of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione has a molecular weight of 382.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 120852858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).