3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

C22H26N4O3 — CID 177365498

IUPAC3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESCCc1ccccc1CN1CCC(COc2ccc(-c3noc(=O)[nH]3)nc2)CC1
InChIInChI=1S/C22H26N4O3/c1-2-17-5-3-4-6-18(17)14-26-11-9-16(10-12-26)15-28-19-7-8-20(23-13-19)21-24-22(27)29-25-21/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,24,25,27)
InChIKeyNDMIJEKEVLZCOF-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.28
Rot. Bonds7

About 3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 177365498) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID177365498
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESCCc1ccccc1CN1CCC(COc2ccc(-c3noc(=O)[nH]3)nc2)CC1
InChIInChI=1S/C22H26N4O3/c1-2-17-5-3-4-6-18(17)14-26-11-9-16(10-12-26)15-28-19-7-8-20(23-13-19)21-24-22(27)29-25-21/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,24,25,27)
InChIKeyNDMIJEKEVLZCOF-UHFFFAOYSA-N
XLogP3.28
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-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-[[(3R)-1-ethylpiperidin-3-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365431
3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365363
3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 177365440
3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365457
3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365479
3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365487
3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365359
3-[5-(4-piperazin-1-ylbutoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365390
4-[(4-methoxyphenoxy)methyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine
CID 74236528
1-[(2-ethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 64694673
1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
2-phenyl-5-(piperidin-4-ylmethoxy)pyridine
CID 127025530

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (CID 177365498) is 3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is CCc1ccccc1CN1CCC(COc2ccc(-c3noc(=O)[nH]3)nc2)CC1.
What is the InChIKey of 3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is NDMIJEKEVLZCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-17-5-3-4-6-18(17)14-26-11-9-16(10-12-26)15-28-19-7-8-20(23-13-19)21-24-22(27)29-25-21/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,24,25,27).
What are the key properties of 3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 394.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 177365498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).