3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole

C15H17N5O2 — CID 56885021

IUPAC3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2cn(CCc3ccccc3)nn2)n1
InChIInChI=1S/C15H17N5O2/c1-21-10-8-14-16-15(22-18-14)13-11-20(19-17-13)9-7-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyOJNDAIBZQCQYGG-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.76
Rot. Bonds7

About 3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole (PubChem CID 56885021) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole
PubChem CID56885021
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2cn(CCc3ccccc3)nn2)n1
InChIInChI=1S/C15H17N5O2/c1-21-10-8-14-16-15(22-18-14)13-11-20(19-17-13)9-7-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyOJNDAIBZQCQYGG-UHFFFAOYSA-N
XLogP1.76
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole 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 3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole (CID 56885021) is 3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole is COCCc1noc(-c2cn(CCc3ccccc3)nn2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is OJNDAIBZQCQYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-21-10-8-14-16-15(22-18-14)13-11-20(19-17-13)9-7-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 299.33 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[1-(2-phenylethyl)triazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 56885021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).