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

C17H12N4O3 — CID 2216495

IUPAC2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C17H12N4O3/c22-16-12-3-1-2-4-13(12)17(23)21(16)10-7-14-19-15(20-24-14)11-5-8-18-9-6-11/h1-6,8-9H,7,10H2
InChIKeyWPRYKDWHMKLREX-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.97
Rot. Bonds4

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

2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione (PubChem CID 2216495) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione
PubChem CID2216495
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Name2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C17H12N4O3/c22-16-12-3-1-2-4-13(12)17(23)21(16)10-7-14-19-15(20-24-14)11-5-8-18-9-6-11/h1-6,8-9H,7,10H2
InChIKeyWPRYKDWHMKLREX-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'}

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

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Related Compounds

4-Methyl-2-phthalimidopyridine
CID 10999049
2-(Pyrimidin-2-yl)isoindoline-1,3-dione
CID 660266
2-(2-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)ethyl)isoindoline-1,3-dione
CID 973358
2-{2-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 2060526
4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(3-methyl-pyridin-2-yl)-butyramide
CID 649072
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-pyridin-2-yl-propionamide
CID 653111
6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(5-methyl-2-pyridinyl)hexanamide
CID 1719992
2-{3-[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl}-1H-isoindole-1,3(2H)-dione
CID 2953744
2-{4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 17456984
(1-methylindol-4-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 71654661
3-Methyl-2-(phthalimidyl)pyridine
CID 10609961
1H-Isoindole-1,3(2H)-dione, 2-(2-pyridinyl)-
CID 554994

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione (CID 2216495) is 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccncc2)no1.
What is the InChIKey of 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione?
The InChIKey is WPRYKDWHMKLREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c22-16-12-3-1-2-4-13(12)17(23)21(16)10-7-14-19-15(20-24-14)11-5-8-18-9-6-11/h1-6,8-9H,7,10H2.
What are the key properties of 2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione?
2-[2-(3-pyridin-4-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-4-yl-1,2,4-oxadiazol-5-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 2216495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).