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

C15H20N4O3 — CID 177365487

IUPAC3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(OCCN3CCCCCC3)cn2)no1
InChIInChI=1S/C15H20N4O3/c20-15-17-14(18-22-15)13-6-5-12(11-16-13)21-10-9-19-7-3-1-2-4-8-19/h5-6,11H,1-4,7-10H2,(H,17,18,20)
InChIKeyKXBDAQLJMWPFMM-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.68
Rot. Bonds5

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

3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 177365487) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID177365487
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(OCCN3CCCCCC3)cn2)no1
InChIInChI=1S/C15H20N4O3/c20-15-17-14(18-22-15)13-6-5-12(11-16-13)21-10-9-19-7-3-1-2-4-8-19/h5-6,11H,1-4,7-10H2,(H,17,18,20)
InChIKeyKXBDAQLJMWPFMM-UHFFFAOYSA-N
XLogP1.68
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 177365517
3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365359
3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365479
3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365457
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-[4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)butoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365442
3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365451
3-[5-[[(3R)-1-ethylpiperidin-3-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365431
6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole
CID 158164125
5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 79793888
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (CID 177365487) is 3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(-c2ccc(OCCN3CCCCCC3)cn2)no1.
What is the InChIKey of 3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is KXBDAQLJMWPFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-15-17-14(18-22-15)13-6-5-12(11-16-13)21-10-9-19-7-3-1-2-4-8-19/h5-6,11H,1-4,7-10H2,(H,17,18,20).
What are the key properties of 3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 304.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 177365487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).