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

C18H14N4O3 — CID 2953744

IUPAC2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccncc2)no1
InChIInChI=1S/C18H14N4O3/c23-17-13-4-1-2-5-14(13)18(24)22(17)11-3-6-15-20-16(21-25-15)12-7-9-19-10-8-12/h1-2,4-5,7-10H,3,6,11H2
InChIKeyAGWWZCICEUHAPF-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.36
Rot. Bonds5

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

2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione (PubChem CID 2953744) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione
PubChem CID2953744
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccncc2)no1
InChIInChI=1S/C18H14N4O3/c23-17-13-4-1-2-5-14(13)18(24)22(17)11-3-6-15-20-16(21-25-15)12-7-9-19-10-8-12/h1-2,4-5,7-10H,3,6,11H2
InChIKeyAGWWZCICEUHAPF-UHFFFAOYSA-N
XLogP2.36
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.36
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-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione (CID 2953744) is 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccncc2)no1.
What is the InChIKey of 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione?
The InChIKey is AGWWZCICEUHAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-17-13-4-1-2-5-14(13)18(24)22(17)11-3-6-15-20-16(21-25-15)12-7-9-19-10-8-12/h1-2,4-5,7-10H,3,6,11H2.
What are the key properties of 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione?
2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione has a molecular weight of 334.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 2953744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).