1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine

C11H17N3O — CID 62070959

IUPAC1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(C2CC3CCC2C3)o1
InChIInChI=1S/C11H17N3O/c1-6(12)10-13-14-11(15-10)9-5-7-2-3-8(9)4-7/h6-9H,2-5,12H2,1H3
InChIKeyPQVKMQCUUQUUNG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.99
Rot. Bonds2

About 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine

1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62070959) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62070959
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(C2CC3CCC2C3)o1
InChIInChI=1S/C11H17N3O/c1-6(12)10-13-14-11(15-10)9-5-7-2-3-8(9)4-7/h6-9H,2-5,12H2,1H3
InChIKeyPQVKMQCUUQUUNG-UHFFFAOYSA-N
XLogP1.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(Trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 113434004
1-[5-[2-(Trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 113434004
1-(5-Cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine
CID 24254668
1-(5-Cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine
CID 24254668
1-(5-Cyclohexyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-1-amine
CID 24254729
(1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 42046742
(1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 42046742
1-[5-(4-Butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035098
N-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 55039170
1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 55039608
N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55039643
N-[[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 55039883

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62070959) is 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(C2CC3CCC2C3)o1.
What is the InChIKey of 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is PQVKMQCUUQUUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-6(12)10-13-14-11(15-10)9-5-7-2-3-8(9)4-7/h6-9H,2-5,12H2,1H3.
What are the key properties of 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62070959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).