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

C15H22N2O — CID 59626828

IUPAC2-(1-adamantyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C15H22N2O/c1-9(2)13-16-17-14(18-13)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12H,3-8H2,1-2H3
InChIKeyQPZJIWKOKHRSDI-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.66
Rot. Bonds2

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

2-(1-adamantyl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 59626828) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-adamantyl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID59626828
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(1-adamantyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C15H22N2O/c1-9(2)13-16-17-14(18-13)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12H,3-8H2,1-2H3
InChIKeyQPZJIWKOKHRSDI-UHFFFAOYSA-N
XLogP3.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.66
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-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-adamantyl)-5-propan-2-yl-1,3,4-oxadiazole (CID 59626828) is 2-(1-adamantyl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-adamantyl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-adamantyl)-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 2-(1-adamantyl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is QPZJIWKOKHRSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-9(2)13-16-17-14(18-13)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-(1-adamantyl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(1-adamantyl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 246.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 59626828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).