6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one

C19H19N3O2 — CID 11587811

IUPAC6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one
SMILESO=C(CCCCCc1ccccc1)c1nnc(-c2cccnc2)o1
InChIInChI=1S/C19H19N3O2/c23-17(12-6-2-5-10-15-8-3-1-4-9-15)19-22-21-18(24-19)16-11-7-13-20-14-16/h1,3-4,7-9,11,13-14H,2,5-6,10,12H2
InChIKeyHYRNEPQKUNFFFH-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.12
Rot. Bonds8

About 6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one

6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one (PubChem CID 11587811) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one.

Molecular Properties

Compound Name6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one
PubChem CID11587811
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one
SMILESO=C(CCCCCc1ccccc1)c1nnc(-c2cccnc2)o1
InChIInChI=1S/C19H19N3O2/c23-17(12-6-2-5-10-15-8-3-1-4-9-15)19-22-21-18(24-19)16-11-7-13-20-14-16/h1,3-4,7-9,11,13-14H,2,5-6,10,12H2
InChIKeyHYRNEPQKUNFFFH-UHFFFAOYSA-N
XLogP4.12
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
7-Phenyl-1-[5-(Pyridin-2-Yl)-1,3,4-Oxadiazol-2-Yl]heptan-1-One
CID 11484453
7-Phenyl-1-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one
CID 11631387
6-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-hexan-1-one
CID 11652690
7-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one
CID 11674428
8-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)octan-1-one
CID 11695972
9-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)nonan-1-one
CID 11696246
3-(Biphenyl-4-yl)-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)-propan-1-one
CID 44577784
2-(4-Chlorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 740480
Dimethyl-[4-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-phenyl]-amine
CID 865622
3-(5-Phenyl-1,3-oxazol-2-yl)pyridine
CID 879024
3-[5-(3-Phenyl-allylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 1581526

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one?
The IUPAC name of 6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one (CID 11587811) is 6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one.
What is the SMILES notation for 6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one?
The canonical SMILES for 6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one is O=C(CCCCCc1ccccc1)c1nnc(-c2cccnc2)o1.
What is the InChIKey of 6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one?
The InChIKey is HYRNEPQKUNFFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-17(12-6-2-5-10-15-8-3-1-4-9-15)19-22-21-18(24-19)16-11-7-13-20-14-16/h1,3-4,7-9,11,13-14H,2,5-6,10,12H2.
What are the key properties of 6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one?
6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one has a molecular weight of 321.38 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)hexan-1-one is sourced from PubChem (CID 11587811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).