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

C13H18N2O — CID 86075322

IUPAC2-(1-adamantyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C13H18N2O/c1-8-14-15-12(16-8)13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-7H2,1H3
InChIKeyLIOFQTDCBITIEB-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.85
Rot. Bonds1

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

2-(1-adamantyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 86075322) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-adamantyl)-5-methyl-1,3,4-oxadiazole
PubChem CID86075322
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(1-adamantyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C13H18N2O/c1-8-14-15-12(16-8)13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-7H2,1H3
InChIKeyLIOFQTDCBITIEB-UHFFFAOYSA-N
XLogP2.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.85
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-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-adamantyl)-5-methyl-1,3,4-oxadiazole (CID 86075322) is 2-(1-adamantyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-adamantyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-adamantyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 2-(1-adamantyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is LIOFQTDCBITIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-14-15-12(16-8)13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-7H2,1H3.
What are the key properties of 2-(1-adamantyl)-5-methyl-1,3,4-oxadiazole?
2-(1-adamantyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 218.30 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 86075322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).