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

C17H17N3O3 — CID 655421

IUPAC2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3cccnc3)o2)cc1OCC
InChIInChI=1S/C17H17N3O3/c1-3-21-14-8-7-12(10-15(14)22-4-2)16-19-20-17(23-16)13-6-5-9-18-11-13/h5-11H,3-4H2,1-2H3
InChIKeyBGTTXWSJWWRXRY-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.60
Rot. Bonds6

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

2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 655421) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID655421
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3cccnc3)o2)cc1OCC
InChIInChI=1S/C17H17N3O3/c1-3-21-14-8-7-12(10-15(14)22-4-2)16-19-20-17(23-16)13-6-5-9-18-11-13/h5-11H,3-4H2,1-2H3
InChIKeyBGTTXWSJWWRXRY-UHFFFAOYSA-N
XLogP3.60
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-diethoxyphenyl)-5-pyridin-3-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

Related Compounds

2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole
CID 71563513
2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole
CID 166198597
2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 3169936
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25055628
2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054875
3-ethoxy-2-iodo-5-pyridin-3-ylpyridine
CID 86036599
3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine
CID 174511445
2-ethoxy-4-pyridin-3-ylbenzamide
CID 155568101
3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol
CID 25054362
N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
CID 865622
2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 5052252

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 655421) is 2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole is CCOc1ccc(-c2nnc(-c3cccnc3)o2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is BGTTXWSJWWRXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-21-14-8-7-12(10-15(14)22-4-2)16-19-20-17(23-16)13-6-5-9-18-11-13/h5-11H,3-4H2,1-2H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 311.34 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 655421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).