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

C16H15N3O2 — CID 3169936

IUPAC2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCCCOc1ccc(-c2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-10-20-14-7-5-12(6-8-14)15-18-19-16(21-15)13-4-3-9-17-11-13/h3-9,11H,2,10H2,1H3
InChIKeyUACMOENETSVAOO-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.59
Rot. Bonds5

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

2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 3169936) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID3169936
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCCCOc1ccc(-c2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-10-20-14-7-5-12(6-8-14)15-18-19-16(21-15)13-4-3-9-17-11-13/h3-9,11H,2,10H2,1H3
InChIKeyUACMOENETSVAOO-UHFFFAOYSA-N
XLogP3.59
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 3169936) is 2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole is CCCOc1ccc(-c2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of 2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is UACMOENETSVAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-10-20-14-7-5-12(6-8-14)15-18-19-16(21-15)13-4-3-9-17-11-13/h3-9,11H,2,10H2,1H3.
What are the key properties of 2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 281.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 3169936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).