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

C17H17N3O3 — CID 976282

IUPAC5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3cccnc3)no2)cc1OCC
InChIInChI=1S/C17H17N3O3/c1-3-21-14-8-7-12(10-15(14)22-4-2)17-19-16(20-23-17)13-6-5-9-18-11-13/h5-11H,3-4H2,1-2H3
InChIKeyHHTKRKAEVCOZDH-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.60
Rot. Bonds6

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

5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 976282) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID976282
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3cccnc3)no2)cc1OCC
InChIInChI=1S/C17H17N3O3/c1-3-21-14-8-7-12(10-15(14)22-4-2)17-19-16(20-23-17)13-6-5-9-18-11-13/h5-11H,3-4H2,1-2H3
InChIKeyHHTKRKAEVCOZDH-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

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Related Compounds

4-[5-(2-Ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 891438
Cym5181
CID 976135
2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 789864
5-(2-ethoxyethyl)-5-(4-(4-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)phenoxy)phenoxy)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 10174798
4-[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 789891
4-(propan-2-yloxy)-N-(pyridin-2-yl)-N-(3,4,5-trimethoxybenzyl)benzamide
CID 16015944
3-[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 678423
4-[5-(3-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 789859
5-(2,4-Dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 891517
5-[(3,4-Dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 1105282
3-[3-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine
CID 2033237
N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17394922

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 976282) is 5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3cccnc3)no2)cc1OCC.
What is the InChIKey of 5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is HHTKRKAEVCOZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-21-14-8-7-12(10-15(14)22-4-2)17-19-16(20-23-17)13-6-5-9-18-11-13/h5-11H,3-4H2,1-2H3.
What are the key properties of 5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-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 5-(3,4-diethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 976282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).