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

C15H20N2O — CID 59656164

IUPAC2-(1-adamantyl)-5-cyclopropyl-1,3,4-oxadiazole
SMILESC1C2CC3CC1CC(c1nnc(C4CC4)o1)(C2)C3
InChIInChI=1S/C15H20N2O/c1-2-12(1)13-16-17-14(18-13)15-6-9-3-10(7-15)5-11(4-9)8-15/h9-12H,1-8H2
InChIKeyGEHWZOPQUQHAGV-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.41
Rot. Bonds2

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

2-(1-adamantyl)-5-cyclopropyl-1,3,4-oxadiazole (PubChem CID 59656164) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-cyclopropyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-adamantyl)-5-cyclopropyl-1,3,4-oxadiazole
PubChem CID59656164
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(1-adamantyl)-5-cyclopropyl-1,3,4-oxadiazole
SMILESC1C2CC3CC1CC(c1nnc(C4CC4)o1)(C2)C3
InChIInChI=1S/C15H20N2O/c1-2-12(1)13-16-17-14(18-13)15-6-9-3-10(7-15)5-11(4-9)8-15/h9-12H,1-8H2
InChIKeyGEHWZOPQUQHAGV-UHFFFAOYSA-N
XLogP3.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.41
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-cyclopropyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-adamantyl)-5-cyclopropyl-1,3,4-oxadiazole (CID 59656164) is 2-(1-adamantyl)-5-cyclopropyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-adamantyl)-5-cyclopropyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-adamantyl)-5-cyclopropyl-1,3,4-oxadiazole is C1C2CC3CC1CC(c1nnc(C4CC4)o1)(C2)C3.
What is the InChIKey of 2-(1-adamantyl)-5-cyclopropyl-1,3,4-oxadiazole?
The InChIKey is GEHWZOPQUQHAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-12(1)13-16-17-14(18-13)15-6-9-3-10(7-15)5-11(4-9)8-15/h9-12H,1-8H2.
What are the key properties of 2-(1-adamantyl)-5-cyclopropyl-1,3,4-oxadiazole?
2-(1-adamantyl)-5-cyclopropyl-1,3,4-oxadiazole has a molecular weight of 244.34 g/mol, XLogP of 3.41, 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-cyclopropyl-1,3,4-oxadiazole is sourced from PubChem (CID 59656164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).