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

C19H23N3O — CID 162767533

IUPAC3-(1-adamantyl)-5-(2-pyridin-3-ylethyl)-1,2,4-oxadiazole
SMILESc1cncc(CCc2nc(C34CC5CC(CC(C5)C3)C4)no2)c1
InChIInChI=1S/C19H23N3O/c1-2-13(12-20-5-1)3-4-17-21-18(22-23-17)19-9-14-6-15(10-19)8-16(7-14)11-19/h1-2,5,12,14-16H,3-4,6-11H2
InChIKeyKCOHXDQOUPJIQA-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.72
Rot. Bonds4

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

3-(1-adamantyl)-5-(2-pyridin-3-ylethyl)-1,2,4-oxadiazole (PubChem CID 162767533) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(1-adamantyl)-5-(2-pyridin-3-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-adamantyl)-5-(2-pyridin-3-ylethyl)-1,2,4-oxadiazole
PubChem CID162767533
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name3-(1-adamantyl)-5-(2-pyridin-3-ylethyl)-1,2,4-oxadiazole
SMILESc1cncc(CCc2nc(C34CC5CC(CC(C5)C3)C4)no2)c1
InChIInChI=1S/C19H23N3O/c1-2-13(12-20-5-1)3-4-17-21-18(22-23-17)19-9-14-6-15(10-19)8-16(7-14)11-19/h1-2,5,12,14-16H,3-4,6-11H2
InChIKeyKCOHXDQOUPJIQA-UHFFFAOYSA-N
XLogP3.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-5-(2-pyridin-3-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-adamantyl)-5-(2-pyridin-3-ylethyl)-1,2,4-oxadiazole (CID 162767533) is 3-(1-adamantyl)-5-(2-pyridin-3-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-adamantyl)-5-(2-pyridin-3-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-adamantyl)-5-(2-pyridin-3-ylethyl)-1,2,4-oxadiazole is c1cncc(CCc2nc(C34CC5CC(CC(C5)C3)C4)no2)c1.
What is the InChIKey of 3-(1-adamantyl)-5-(2-pyridin-3-ylethyl)-1,2,4-oxadiazole?
The InChIKey is KCOHXDQOUPJIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-13(12-20-5-1)3-4-17-21-18(22-23-17)19-9-14-6-15(10-19)8-16(7-14)11-19/h1-2,5,12,14-16H,3-4,6-11H2.
What are the key properties of 3-(1-adamantyl)-5-(2-pyridin-3-ylethyl)-1,2,4-oxadiazole?
3-(1-adamantyl)-5-(2-pyridin-3-ylethyl)-1,2,4-oxadiazole has a molecular weight of 309.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-5-(2-pyridin-3-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 162767533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).