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

C17H19N3O — CID 2869389

IUPAC5-(1-adamantyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)c1
InChIInChI=1S/C17H19N3O/c1-2-14(10-18-3-1)15-19-16(21-20-15)17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,10-13H,4-9H2
InChIKeyVQFWMSDKWNVPPM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.60
Rot. Bonds2

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

5-(1-adamantyl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 2869389) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(1-adamantyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-adamantyl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID2869389
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-(1-adamantyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)c1
InChIInChI=1S/C17H19N3O/c1-2-14(10-18-3-1)15-19-16(21-20-15)17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,10-13H,4-9H2
InChIKeyVQFWMSDKWNVPPM-UHFFFAOYSA-N
XLogP3.60
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-adamantyl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 2869389) is 5-(1-adamantyl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-adamantyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-adamantyl)-3-pyridin-3-yl-1,2,4-oxadiazole is c1cncc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)c1.
What is the InChIKey of 5-(1-adamantyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is VQFWMSDKWNVPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-14(10-18-3-1)15-19-16(21-20-15)17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,10-13H,4-9H2.
What are the key properties of 5-(1-adamantyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(1-adamantyl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 281.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2869389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).