3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole

C20H23FN2O — CID 162767531

IUPAC3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole
SMILESFc1ccc(CCc2nc(C34CC5CC(CC(C5)C3)C4)no2)cc1
InChIInChI=1S/C20H23FN2O/c21-17-4-1-13(2-5-17)3-6-18-22-19(23-24-18)20-10-14-7-15(11-20)9-16(8-14)12-20/h1-2,4-5,14-16H,3,6-12H2
InChIKeyFLVWDWHEQGMZNG-UHFFFAOYSA-N
MW326.41 g/mol
LogP4.46
Rot. Bonds4

About 3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole

3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole (PubChem CID 162767531) has the molecular formula C20H23FN2O and a molecular weight of 326.41 g/mol. Its IUPAC name is 3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole
PubChem CID162767531
Molecular FormulaC20H23FN2O
Molecular Weight326.41 g/mol
Exact Mass326.18
IUPAC Name3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole
SMILESFc1ccc(CCc2nc(C34CC5CC(CC(C5)C3)C4)no2)cc1
InChIInChI=1S/C20H23FN2O/c21-17-4-1-13(2-5-17)3-6-18-22-19(23-24-18)20-10-14-7-15(11-20)9-16(8-14)12-20/h1-2,4-5,14-16H,3,6-12H2
InChIKeyFLVWDWHEQGMZNG-UHFFFAOYSA-N
XLogP4.46
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole (CID 162767531) is 3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole is Fc1ccc(CCc2nc(C34CC5CC(CC(C5)C3)C4)no2)cc1.
What is the InChIKey of 3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole?
The InChIKey is FLVWDWHEQGMZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-17-4-1-13(2-5-17)3-6-18-22-19(23-24-18)20-10-14-7-15(11-20)9-16(8-14)12-20/h1-2,4-5,14-16H,3,6-12H2.
What are the key properties of 3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole?
3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole has a molecular weight of 326.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 162767531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).