2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione

C17H12N4O3 — CID 2060526

IUPAC2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C17H12N4O3/c22-16-12-5-1-2-6-13(12)17(23)21(16)9-7-14-19-15(20-24-14)11-4-3-8-18-10-11/h1-6,8,10H,7,9H2
InChIKeyBPDQTFGZURHGHQ-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.97
Rot. Bonds4

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

2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione (PubChem CID 2060526) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione
PubChem CID2060526
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Name2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C17H12N4O3/c22-16-12-5-1-2-6-13(12)17(23)21(16)9-7-14-19-15(20-24-14)11-4-3-8-18-10-11/h1-6,8,10H,7,9H2
InChIKeyBPDQTFGZURHGHQ-UHFFFAOYSA-N
XLogP1.97
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione (CID 2060526) is 2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1nc(-c2cccnc2)no1.
What is the InChIKey of 2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione?
The InChIKey is BPDQTFGZURHGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c22-16-12-5-1-2-6-13(12)17(23)21(16)9-7-14-19-15(20-24-14)11-4-3-8-18-10-11/h1-6,8,10H,7,9H2.
What are the key properties of 2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione?
2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione has a molecular weight of 320.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 2060526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).