N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C15H16N6O2 — CID 99838281

IUPACN-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2ccccc2-n2ccnn2)n1
InChIInChI=1S/C15H16N6O2/c1-10(22)18-15(2,3)14-17-13(23-19-14)11-6-4-5-7-12(11)21-9-8-16-20-21/h4-9H,1-3H3,(H,18,22)
InChIKeyJUGMJXFYQQODGA-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.69
Rot. Bonds4

About N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 99838281) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID99838281
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC NameN-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2ccccc2-n2ccnn2)n1
InChIInChI=1S/C15H16N6O2/c1-10(22)18-15(2,3)14-17-13(23-19-14)11-6-4-5-7-12(11)21-9-8-16-20-21/h4-9H,1-3H3,(H,18,22)
InChIKeyJUGMJXFYQQODGA-UHFFFAOYSA-N
XLogP1.69
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide 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 N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 99838281) is N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(-c2ccccc2-n2ccnn2)n1.
What is the InChIKey of N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is JUGMJXFYQQODGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-10(22)18-15(2,3)14-17-13(23-19-14)11-6-4-5-7-12(11)21-9-8-16-20-21/h4-9H,1-3H3,(H,18,22).
What are the key properties of N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 312.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 99838281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).