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

C19H19N3O2 — CID 11652690

IUPAC6-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)hexan-1-one
SMILESO=C(CCCCCc1ccccc1)c1nnc(-c2ccccn2)o1
InChIInChI=1S/C19H19N3O2/c23-17(13-6-2-5-11-15-9-3-1-4-10-15)19-22-21-18(24-19)16-12-7-8-14-20-16/h1,3-4,7-10,12,14H,2,5-6,11,13H2
InChIKeyOZMRFZJASWJRSM-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.12
Rot. Bonds8

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

6-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)hexan-1-one (PubChem CID 11652690) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)hexan-1-one.

Molecular Properties

Compound Name6-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)hexan-1-one
PubChem CID11652690
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name6-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)hexan-1-one
SMILESO=C(CCCCCc1ccccc1)c1nnc(-c2ccccn2)o1
InChIInChI=1S/C19H19N3O2/c23-17(13-6-2-5-11-15-9-3-1-4-10-15)19-22-21-18(24-19)16-12-7-8-14-20-16/h1,3-4,7-10,12,14H,2,5-6,11,13H2
InChIKeyOZMRFZJASWJRSM-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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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)hexan-1-one?
The IUPAC name of 6-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)hexan-1-one (CID 11652690) is 6-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)hexan-1-one.
What is the SMILES notation for 6-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)hexan-1-one?
The canonical SMILES for 6-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)hexan-1-one is O=C(CCCCCc1ccccc1)c1nnc(-c2ccccn2)o1.
What is the InChIKey of 6-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)hexan-1-one?
The InChIKey is OZMRFZJASWJRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-17(13-6-2-5-11-15-9-3-1-4-10-15)19-22-21-18(24-19)16-12-7-8-14-20-16/h1,3-4,7-10,12,14H,2,5-6,11,13H2.
What are the key properties of 6-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)hexan-1-one?
6-phenyl-1-(5-pyridin-2-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-2-yl-1,3,4-oxadiazol-2-yl)hexan-1-one is sourced from PubChem (CID 11652690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).