[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol

C18H19N3O4 — CID 25110396

IUPAC[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol
SMILESCCOc1ccc(-c2nc(-c3cncc(CO)c3)no2)cc1OCC
InChIInChI=1S/C18H19N3O4/c1-3-23-15-6-5-13(8-16(15)24-4-2)18-20-17(21-25-18)14-7-12(11-22)9-19-10-14/h5-10,22H,3-4,11H2,1-2H3
InChIKeyNPNBSOWGZLJZEB-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.09
Rot. Bonds7

About [5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol

[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol (PubChem CID 25110396) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is [5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol
PubChem CID25110396
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol
SMILESCCOc1ccc(-c2nc(-c3cncc(CO)c3)no2)cc1OCC
InChIInChI=1S/C18H19N3O4/c1-3-23-15-6-5-13(8-16(15)24-4-2)18-20-17(21-25-18)14-7-12(11-22)9-19-10-14/h5-10,22H,3-4,11H2,1-2H3
InChIKeyNPNBSOWGZLJZEB-UHFFFAOYSA-N
XLogP3.09
TPSA90.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol?
The IUPAC name of [5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol (CID 25110396) is [5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol?
The canonical SMILES for [5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol is CCOc1ccc(-c2nc(-c3cncc(CO)c3)no2)cc1OCC.
What is the InChIKey of [5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol?
The InChIKey is NPNBSOWGZLJZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-23-15-6-5-13(8-16(15)24-4-2)18-20-17(21-25-18)14-7-12(11-22)9-19-10-14/h5-10,22H,3-4,11H2,1-2H3.
What are the key properties of [5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol?
[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol has a molecular weight of 341.37 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 25110396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).