5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C10H16N4O — CID 19886304

IUPAC5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2CN3CCC2C3)n1
InChIInChI=1S/C10H16N4O/c1-13(2)10-11-9(15-12-10)8-6-14-4-3-7(8)5-14/h7-8H,3-6H2,1-2H3
InChIKeyGALSQLRYNNZYQQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.55
Rot. Bonds2

About 5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 19886304) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID19886304
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2CN3CCC2C3)n1
InChIInChI=1S/C10H16N4O/c1-13(2)10-11-9(15-12-10)8-6-14-4-3-7(8)5-14/h7-8H,3-6H2,1-2H3
InChIKeyGALSQLRYNNZYQQ-UHFFFAOYSA-N
XLogP0.55
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 19886304) is 5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(C2CN3CCC2C3)n1.
What is the InChIKey of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is GALSQLRYNNZYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13(2)10-11-9(15-12-10)8-6-14-4-3-7(8)5-14/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 208.26 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 19886304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).