3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole

C15H16N4O — CID 2746186

IUPAC3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole
SMILESCc1cc(C)n(CCc2noc(-c3ccccc3)n2)n1
InChIInChI=1S/C15H16N4O/c1-11-10-12(2)19(17-11)9-8-14-16-15(20-18-14)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChIKeyAWEFOAUHHMKLSI-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.79
Rot. Bonds4

About 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole

3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 2746186) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID2746186
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole
SMILESCc1cc(C)n(CCc2noc(-c3ccccc3)n2)n1
InChIInChI=1S/C15H16N4O/c1-11-10-12(2)19(17-11)9-8-14-16-15(20-18-14)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChIKeyAWEFOAUHHMKLSI-UHFFFAOYSA-N
XLogP2.79
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-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-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole (CID 2746186) is 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole is Cc1cc(C)n(CCc2noc(-c3ccccc3)n2)n1.
What is the InChIKey of 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is AWEFOAUHHMKLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-10-12(2)19(17-11)9-8-14-16-15(20-18-14)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole?
3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 268.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2746186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).