4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole

C24H25FN2O — CID 10429620

IUPAC4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole
SMILESFc1cccc(C2=NOC(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H25FN2O/c25-21-8-4-7-20(12-21)22-26-28-23(19-5-2-1-3-6-19)27(22)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-8,12,16-18,23H,9-11,13-15H2
InChIKeyYWIKHQXKIDKQGV-UHFFFAOYSA-N
MW376.47 g/mol
LogP5.49
Rot. Bonds3

About 4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole

4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole (PubChem CID 10429620) has the molecular formula C24H25FN2O and a molecular weight of 376.47 g/mol. Its IUPAC name is 4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole
PubChem CID10429620
Molecular FormulaC24H25FN2O
Molecular Weight376.47 g/mol
Exact Mass376.20
IUPAC Name4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole
SMILESFc1cccc(C2=NOC(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H25FN2O/c25-21-8-4-7-20(12-21)22-26-28-23(19-5-2-1-3-6-19)27(22)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-8,12,16-18,23H,9-11,13-15H2
InChIKeyYWIKHQXKIDKQGV-UHFFFAOYSA-N
XLogP5.49
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole?
The IUPAC name of 4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole (CID 10429620) is 4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole is Fc1cccc(C2=NOC(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole?
The InChIKey is YWIKHQXKIDKQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c25-21-8-4-7-20(12-21)22-26-28-23(19-5-2-1-3-6-19)27(22)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-8,12,16-18,23H,9-11,13-15H2.
What are the key properties of 4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole?
4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole has a molecular weight of 376.47 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-3-(3-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 10429620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).