2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole

C20H23N3O — CID 44577785

IUPAC2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESc1ccc(CCCCCCCc2nnc(-c3ccccn3)o2)cc1
InChIInChI=1S/C20H23N3O/c1(2-5-11-17-12-6-4-7-13-17)3-8-15-19-22-23-20(24-19)18-14-9-10-16-21-18/h4,6-7,9-10,12-14,16H,1-3,5,8,11,15H2
InChIKeyCWUHAHJRIJENTA-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.87
Rot. Bonds9

About 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole

2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 44577785) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID44577785
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESc1ccc(CCCCCCCc2nnc(-c3ccccn3)o2)cc1
InChIInChI=1S/C20H23N3O/c1(2-5-11-17-12-6-4-7-13-17)3-8-15-19-22-23-20(24-19)18-14-9-10-16-21-18/h4,6-7,9-10,12-14,16H,1-3,5,8,11,15H2
InChIKeyCWUHAHJRIJENTA-UHFFFAOYSA-N
XLogP4.87
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 54929886
2-benzyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 156786960
2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethanol
CID 83530769
2-(7-phenylheptylsulfinyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 71416139
N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330251
methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate
CID 59027826
2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole
CID 44577822
2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 55043837
2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 58366285
N-phenyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330293
2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 10401673
5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286

Frequently Asked Questions

What is the IUPAC name of 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole (CID 44577785) is 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole is c1ccc(CCCCCCCc2nnc(-c3ccccn3)o2)cc1.
What is the InChIKey of 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is CWUHAHJRIJENTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1(2-5-11-17-12-6-4-7-13-17)3-8-15-19-22-23-20(24-19)18-14-9-10-16-21-18/h4,6-7,9-10,12-14,16H,1-3,5,8,11,15H2.
What are the key properties of 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole?
2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 321.42 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 44577785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).