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

C15H22N2O — CID 19552810

IUPAC2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C23CC4CC(C)(CC(C)(C4)C2)C3)o1
InChIInChI=1S/C15H22N2O/c1-10-16-17-12(18-10)15-6-11-4-13(2,8-15)7-14(3,5-11)9-15/h11H,4-9H2,1-3H3
InChIKeyUXTPMPPLDFAJOK-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.63
Rot. Bonds1

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

2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 19552810) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole
PubChem CID19552810
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C23CC4CC(C)(CC(C)(C4)C2)C3)o1
InChIInChI=1S/C15H22N2O/c1-10-16-17-12(18-10)15-6-11-4-13(2,8-15)7-14(3,5-11)9-15/h11H,4-9H2,1-3H3
InChIKeyUXTPMPPLDFAJOK-UHFFFAOYSA-N
XLogP3.63
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole (CID 19552810) is 2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(C23CC4CC(C)(CC(C)(C4)C2)C3)o1.
What is the InChIKey of 2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is UXTPMPPLDFAJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-16-17-12(18-10)15-6-11-4-13(2,8-15)7-14(3,5-11)9-15/h11H,4-9H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole?
2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 246.35 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 19552810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).