1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine

C15H23N3O — CID 55039558

IUPAC1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C15H23N3O/c1-9(16-2)13-17-18-14(19-13)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12,16H,3-8H2,1-2H3
InChIKeyOYGLCYJQHNXCEM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.82
Rot. Bonds3

About 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine

1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (PubChem CID 55039558) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
PubChem CID55039558
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C15H23N3O/c1-9(16-2)13-17-18-14(19-13)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12,16H,3-8H2,1-2H3
InChIKeyOYGLCYJQHNXCEM-UHFFFAOYSA-N
XLogP2.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (CID 55039558) is 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is CNC(C)c1nnc(C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The InChIKey is OYGLCYJQHNXCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9(16-2)13-17-18-14(19-13)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12,16H,3-8H2,1-2H3.
What are the key properties of 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine has a molecular weight of 261.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 55039558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).