2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide

C16H22N4O3 — CID 124559872

IUPAC2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
SMILESO=C(COC[C@@H]1CCCO1)NCCCc1nnc2ccccn12
InChIInChI=1S/C16H22N4O3/c21-16(12-22-11-13-5-4-10-23-13)17-8-3-7-15-19-18-14-6-1-2-9-20(14)15/h1-2,6,9,13H,3-5,7-8,10-12H2,(H,17,21)/t13-/m0/s1
InChIKeyIWMFSCYOUZRPDR-ZDUSSCGKSA-N
MW318.38 g/mol
LogP0.97
Rot. Bonds8

About 2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide

2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide (PubChem CID 124559872) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
PubChem CID124559872
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
SMILESO=C(COC[C@@H]1CCCO1)NCCCc1nnc2ccccn12
InChIInChI=1S/C16H22N4O3/c21-16(12-22-11-13-5-4-10-23-13)17-8-3-7-15-19-18-14-6-1-2-9-20(14)15/h1-2,6,9,13H,3-5,7-8,10-12H2,(H,17,21)/t13-/m0/s1
InChIKeyIWMFSCYOUZRPDR-ZDUSSCGKSA-N
XLogP0.97
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide 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

4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51208285
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide
CID 172672246
2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 96534569
1-[(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 100894390
2-(4-phenylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947550
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124758955
4-(2-acetylhydrazinyl)-4-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 91947749
1-ethyl-2-(oxolan-2-ylmethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111136494
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
CID 71708718
N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-1-carboximidamide
CID 109450041
2-(4-ethylpiperazin-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131926706
2-(4-propan-2-ylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947721

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The IUPAC name of 2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide (CID 124559872) is 2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide.
What is the SMILES notation for 2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The canonical SMILES for 2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide is O=C(COC[C@@H]1CCCO1)NCCCc1nnc2ccccn12.
What is the InChIKey of 2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The InChIKey is IWMFSCYOUZRPDR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O3/c21-16(12-22-11-13-5-4-10-23-13)17-8-3-7-15-19-18-14-6-1-2-9-20(14)15/h1-2,6,9,13H,3-5,7-8,10-12H2,(H,17,21)/t13-/m0/s1.
What are the key properties of 2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide is sourced from PubChem (CID 124559872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).