2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole

C16H24N2O — CID 59656022

IUPAC2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole
SMILESCCCCc1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C16H24N2O/c1-2-3-4-14-17-18-15(19-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,2-10H2,1H3
InChIKeyWTACVAKAHNBAOA-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.88
Rot. Bonds4

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

2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole (PubChem CID 59656022) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole
PubChem CID59656022
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole
SMILESCCCCc1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C16H24N2O/c1-2-3-4-14-17-18-15(19-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,2-10H2,1H3
InChIKeyWTACVAKAHNBAOA-UHFFFAOYSA-N
XLogP3.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole (CID 59656022) is 2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole is CCCCc1nnc(C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole?
The InChIKey is WTACVAKAHNBAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-4-14-17-18-15(19-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,2-10H2,1H3.
What are the key properties of 2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole?
2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole has a molecular weight of 260.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-butyl-1,3,4-oxadiazole is sourced from PubChem (CID 59656022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).