2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide

C16H18N6O2 — CID 53179506

IUPAC2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1nnc2cc(-c3nc(C(C)C)no3)ccn12
InChIInChI=1S/C16H18N6O2/c1-4-6-17-14(23)9-13-20-19-12-8-11(5-7-22(12)13)16-18-15(10(2)3)21-24-16/h4-5,7-8,10H,1,6,9H2,2-3H3,(H,17,23)
InChIKeyITEOUXALADVBDK-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.75
Rot. Bonds6

About 2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide

2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide (PubChem CID 53179506) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide
PubChem CID53179506
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1nnc2cc(-c3nc(C(C)C)no3)ccn12
InChIInChI=1S/C16H18N6O2/c1-4-6-17-14(23)9-13-20-19-12-8-11(5-7-22(12)13)16-18-15(10(2)3)21-24-16/h4-5,7-8,10H,1,6,9H2,2-3H3,(H,17,23)
InChIKeyITEOUXALADVBDK-UHFFFAOYSA-N
XLogP1.75
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide (CID 53179506) is 2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide is C=CCNC(=O)Cc1nnc2cc(-c3nc(C(C)C)no3)ccn12.
What is the InChIKey of 2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide?
The InChIKey is ITEOUXALADVBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-4-6-17-14(23)9-13-20-19-12-8-11(5-7-22(12)13)16-18-15(10(2)3)21-24-16/h4-5,7-8,10H,1,6,9H2,2-3H3,(H,17,23).
What are the key properties of 2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide?
2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide has a molecular weight of 326.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 53179506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).