[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

C13H20ClN3O — CID 119947905

IUPAC[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(C23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C13H19N3O.ClH/c14-7-11-15-12(16-17-11)13-4-8-1-9(5-13)3-10(2-8)6-13;/h8-10H,1-7,14H2;1H
InChIKeyICRLVNPNWRBPOD-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.42
Rot. Bonds2

About [3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 119947905) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is [3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID119947905
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(C23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C13H19N3O.ClH/c14-7-11-15-12(16-17-11)13-4-8-1-9(5-13)3-10(2-8)6-13;/h8-10H,1-7,14H2;1H
InChIKeyICRLVNPNWRBPOD-UHFFFAOYSA-N
XLogP2.42
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 119947905) is [3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is Cl.NCc1nc(C23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of [3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is ICRLVNPNWRBPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.ClH/c14-7-11-15-12(16-17-11)13-4-8-1-9(5-13)3-10(2-8)6-13;/h8-10H,1-7,14H2;1H.
What are the key properties of [3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 119947905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).