7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one

C20H21N3O2 — CID 11674428

IUPAC7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1nnc(-c2cccnc2)o1
InChIInChI=1S/C20H21N3O2/c24-18(13-7-2-1-4-9-16-10-5-3-6-11-16)20-23-22-19(25-20)17-12-8-14-21-15-17/h3,5-6,8,10-12,14-15H,1-2,4,7,9,13H2
InChIKeyKAZZIMTWPWCVEJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.51
Rot. Bonds9

About 7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one

7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one (PubChem CID 11674428) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one.

Molecular Properties

Compound Name7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one
PubChem CID11674428
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1nnc(-c2cccnc2)o1
InChIInChI=1S/C20H21N3O2/c24-18(13-7-2-1-4-9-16-10-5-3-6-11-16)20-23-22-19(25-20)17-12-8-14-21-15-17/h3,5-6,8,10-12,14-15H,1-2,4,7,9,13H2
InChIKeyKAZZIMTWPWCVEJ-UHFFFAOYSA-N
XLogP4.51
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.51
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
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
(Z)-1-(5-Pyridin-3-yl-oxazol-2-yl)-octadec-9-en-1-one
CID 11246876

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one?
The IUPAC name of 7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one (CID 11674428) is 7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one.
What is the SMILES notation for 7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one?
The canonical SMILES for 7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one is O=C(CCCCCCc1ccccc1)c1nnc(-c2cccnc2)o1.
What is the InChIKey of 7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one?
The InChIKey is KAZZIMTWPWCVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-18(13-7-2-1-4-9-16-10-5-3-6-11-16)20-23-22-19(25-20)17-12-8-14-21-15-17/h3,5-6,8,10-12,14-15H,1-2,4,7,9,13H2.
What are the key properties of 7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one?
7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one has a molecular weight of 335.41 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)heptan-1-one is sourced from PubChem (CID 11674428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).