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

C14H21N3O — CID 62071805

IUPAC2-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C14H21N3O/c15-2-1-12-16-17-13(18-12)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1-8,15H2
InChIKeyITWTWRPDSKSZSM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.04
Rot. Bonds3

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

2-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62071805) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62071805
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C14H21N3O/c15-2-1-12-16-17-13(18-12)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1-8,15H2
InChIKeyITWTWRPDSKSZSM-UHFFFAOYSA-N
XLogP2.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62071805) is 2-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine is NCCc1nnc(C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 2-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is ITWTWRPDSKSZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-2-1-12-16-17-13(18-12)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1-8,15H2.
What are the key properties of 2-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62071805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).