2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole

C17H17N3O2 — CID 652370

IUPAC2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCCCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C17H17N3O2/c1-2-3-12-21-15-6-4-13(5-7-15)16-19-20-17(22-16)14-8-10-18-11-9-14/h4-11H,2-3,12H2,1H3
InChIKeyFRRYRUHSXXGYLK-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.98
Rot. Bonds6

About 2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole

2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 652370) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID652370
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCCCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C17H17N3O2/c1-2-3-12-21-15-6-4-13(5-7-15)16-19-20-17(22-16)14-8-10-18-11-9-14/h4-11H,2-3,12H2,1H3
InChIKeyFRRYRUHSXXGYLK-UHFFFAOYSA-N
XLogP3.98
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-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 2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 652370) is 2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is CCCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is FRRYRUHSXXGYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-3-12-21-15-6-4-13(5-7-15)16-19-20-17(22-16)14-8-10-18-11-9-14/h4-11H,2-3,12H2,1H3.
What are the key properties of 2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 295.34 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 652370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).