9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one

C22H25N3O2 — CID 11696246

IUPAC9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one
SMILESO=C(CCCCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1
InChIInChI=1S/C22H25N3O2/c26-20(22-25-24-21(27-22)19-15-10-11-17-23-19)16-9-4-2-1-3-6-12-18-13-7-5-8-14-18/h5,7-8,10-11,13-15,17H,1-4,6,9,12,16H2
InChIKeyXVAJXVDVOFTPGR-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.29
Rot. Bonds11

About 9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one

9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one (PubChem CID 11696246) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one.

Molecular Properties

Compound Name9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one
PubChem CID11696246
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one
SMILESO=C(CCCCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1
InChIInChI=1S/C22H25N3O2/c26-20(22-25-24-21(27-22)19-15-10-11-17-23-19)16-9-4-2-1-3-6-12-18-13-7-5-8-14-18/h5,7-8,10-11,13-15,17H,1-4,6,9,12,16H2
InChIKeyXVAJXVDVOFTPGR-UHFFFAOYSA-N
XLogP5.29
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.29
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 9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one?
The IUPAC name of 9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one (CID 11696246) is 9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one.
What is the SMILES notation for 9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one?
The canonical SMILES for 9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one is O=C(CCCCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1.
What is the InChIKey of 9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one?
The InChIKey is XVAJXVDVOFTPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-20(22-25-24-21(27-22)19-15-10-11-17-23-19)16-9-4-2-1-3-6-12-18-13-7-5-8-14-18/h5,7-8,10-11,13-15,17H,1-4,6,9,12,16H2.
What are the key properties of 9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one?
9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one has a molecular weight of 363.46 g/mol, XLogP of 5.29, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)nonan-1-one is sourced from PubChem (CID 11696246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).