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

C16H15N3O2 — CID 647581

IUPAC2-(4-propoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-11-20-14-5-3-12(4-6-14)15-18-19-16(21-15)13-7-9-17-10-8-13/h3-10H,2,11H2,1H3
InChIKeyBHOJDWFNIMMUMM-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.59
Rot. Bonds5

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

2-(4-propoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 647581) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(4-propoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-propoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID647581
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(4-propoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-11-20-14-5-3-12(4-6-14)15-18-19-16(21-15)13-7-9-17-10-8-13/h3-10H,2,11H2,1H3
InChIKeyBHOJDWFNIMMUMM-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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Related Compounds

3-(5-(4-Methoxyphenyl)-2-oxazolyl)pyridine
CID 928446
Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-
CID 617263
5-[(4-propylphenoxy)methyl]-N'-(3-pyridinylmethylene)-2-furohydrazide
CID 6874482
4-ethoxy-N'-[phenyl(2-pyridinyl)methylene]benzohydrazide
CID 5411787
4-(benzyloxy)-N'-[(E)-pyridin-4-ylmethylidene]benzohydrazide
CID 6867032
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 2948216
3-[(4-isopropylphenoxy)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
CID 6875148
3-[(4-ethoxyphenoxy)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
CID 9564843
4-[5-(4-Ethoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 647166
4-[5-(4-Isobutoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 647974
3-[5-(3,4-Dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 750773
2-(3,4-Diethoxyphenyl)-5-(pyridin-4-yl)-1,3,4-oxadiazole
CID 856470

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-propoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 647581) is 2-(4-propoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-propoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-propoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is CCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 2-(4-propoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is BHOJDWFNIMMUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-11-20-14-5-3-12(4-6-14)15-18-19-16(21-15)13-7-9-17-10-8-13/h3-10H,2,11H2,1H3.
What are the key properties of 2-(4-propoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(4-propoxyphenyl)-5-pyridin-4-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-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 647581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).