1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

C13H21N3O2 — CID 104634579

IUPAC1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1noc(C2C3CCCC32)n1
InChIInChI=1S/C13H21N3O2/c1-7(2)17-6-10(14)12-15-13(18-16-12)11-8-4-3-5-9(8)11/h7-11H,3-6,14H2,1-2H3
InChIKeyVUXQFNZOTZRJFM-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.01
Rot. Bonds5

About 1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (PubChem CID 104634579) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
PubChem CID104634579
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1noc(C2C3CCCC32)n1
InChIInChI=1S/C13H21N3O2/c1-7(2)17-6-10(14)12-15-13(18-16-12)11-8-4-3-5-9(8)11/h7-11H,3-6,14H2,1-2H3
InChIKeyVUXQFNZOTZRJFM-UHFFFAOYSA-N
XLogP2.01
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The IUPAC name of 1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (CID 104634579) is 1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is CC(C)OCC(N)c1noc(C2C3CCCC32)n1.
What is the InChIKey of 1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The InChIKey is VUXQFNZOTZRJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-7(2)17-6-10(14)12-15-13(18-16-12)11-8-4-3-5-9(8)11/h7-11H,3-6,14H2,1-2H3.
What are the key properties of 1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 104634579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).