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

C19H21N3O4 — CID 1084020

IUPAC3-pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1cc(-c2nc(-c3ccncc3)no2)cc(OCC)c1OCC
InChIInChI=1S/C19H21N3O4/c1-4-23-15-11-14(12-16(24-5-2)17(15)25-6-3)19-21-18(22-26-19)13-7-9-20-10-8-13/h7-12H,4-6H2,1-3H3
InChIKeyZQUDXBBWUXEBGA-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.99
Rot. Bonds8

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

3-pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 1084020) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
PubChem CID1084020
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3-pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1cc(-c2nc(-c3ccncc3)no2)cc(OCC)c1OCC
InChIInChI=1S/C19H21N3O4/c1-4-23-15-11-14(12-16(24-5-2)17(15)25-6-3)19-21-18(22-26-19)13-7-9-20-10-8-13/h7-12H,4-6H2,1-3H3
InChIKeyZQUDXBBWUXEBGA-UHFFFAOYSA-N
XLogP3.99
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole (CID 1084020) is 3-pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole is CCOc1cc(-c2nc(-c3ccncc3)no2)cc(OCC)c1OCC.
What is the InChIKey of 3-pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is ZQUDXBBWUXEBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-4-23-15-11-14(12-16(24-5-2)17(15)25-6-3)19-21-18(22-26-19)13-7-9-20-10-8-13/h7-12H,4-6H2,1-3H3.
What are the key properties of 3-pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
3-pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 355.39 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 1084020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).