3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

C17H16N4O3 — CID 177365457

IUPAC3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(OCCN3Cc4ccccc4C3)cn2)no1
InChIInChI=1S/C17H16N4O3/c22-17-19-16(20-24-17)15-6-5-14(9-18-15)23-8-7-21-10-12-3-1-2-4-13(12)11-21/h1-6,9H,7-8,10-11H2,(H,19,20,22)
InChIKeyDEUJYLGRQRNGCI-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.82
Rot. Bonds5

About 3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 177365457) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID177365457
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(OCCN3Cc4ccccc4C3)cn2)no1
InChIInChI=1S/C17H16N4O3/c22-17-19-16(20-24-17)15-6-5-14(9-18-15)23-8-7-21-10-12-3-1-2-4-13(12)11-21/h1-6,9H,7-8,10-11H2,(H,19,20,22)
InChIKeyDEUJYLGRQRNGCI-UHFFFAOYSA-N
XLogP1.82
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Related Compounds

3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365487
3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365479
3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365359
3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 177365517
3-[5-(4-piperazin-1-ylbutoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365390
3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 177365440
3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365451
3-[5-[4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)butoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365442
3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365498
3-[5-[[(3R)-1-ethylpiperidin-3-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365431
4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]aniline
CID 55050236
5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]pyridine-2-carbonitrile
CID 177365476

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (CID 177365457) is 3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(-c2ccc(OCCN3Cc4ccccc4C3)cn2)no1.
What is the InChIKey of 3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is DEUJYLGRQRNGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-17-19-16(20-24-17)15-6-5-14(9-18-15)23-8-7-21-10-12-3-1-2-4-13(12)11-21/h1-6,9H,7-8,10-11H2,(H,19,20,22).
What are the key properties of 3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 324.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 177365457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).