2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

C20H16N4O5 — CID 46428237

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESO=C(CCc1nc(-c2ccccn2)no1)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H16N4O5/c25-17(9-8-16-22-18(23-29-16)15-7-3-4-10-21-15)28-12-11-24-19(26)13-5-1-2-6-14(13)20(24)27/h1-7,10H,8-9,11-12H2
InChIKeyPWLZSWBPIKYABT-UHFFFAOYSA-N
MW392.37 g/mol
LogP1.90
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 46428237) has the molecular formula C20H16N4O5 and a molecular weight of 392.37 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID46428237
Molecular FormulaC20H16N4O5
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESO=C(CCc1nc(-c2ccccn2)no1)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H16N4O5/c25-17(9-8-16-22-18(23-29-16)15-7-3-4-10-21-15)28-12-11-24-19(26)13-5-1-2-6-14(13)20(24)27/h1-7,10H,8-9,11-12H2
InChIKeyPWLZSWBPIKYABT-UHFFFAOYSA-N
XLogP1.90
TPSA115.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46459126
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46428131
methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
CID 78867875
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
ethyl 4-[[2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyloxy]acetyl]amino]piperidine-1-carboxylate
CID 46428065
N,N-dipropyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869082
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47269714
4-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38767965
1-(4-methylpiperazin-4-ium-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 6931138
2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pentyl]isoindole-1,3-dione
CID 2231979
2-(1,3-dioxoisoindol-2-yl)ethyl 3-(4-ethoxyphenyl)propanoate
CID 19226189

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate (CID 46428237) is 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate is O=C(CCc1nc(-c2ccccn2)no1)OCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is PWLZSWBPIKYABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O5/c25-17(9-8-16-22-18(23-29-16)15-7-3-4-10-21-15)28-12-11-24-19(26)13-5-1-2-6-14(13)20(24)27/h1-7,10H,8-9,11-12H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 392.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 46428237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).