3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine

C9H14N4O — CID 134516010

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCc1nnc(N2CC3CC(C2)C3N)o1
InChIInChI=1S/C9H14N4O/c1-5-11-12-9(14-5)13-3-6-2-7(4-13)8(6)10/h6-8H,2-4,10H2,1H3
InChIKeyAOCIONAEHOZABI-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.16
Rot. Bonds1

About 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine

3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 134516010) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID134516010
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCc1nnc(N2CC3CC(C2)C3N)o1
InChIInChI=1S/C9H14N4O/c1-5-11-12-9(14-5)13-3-6-2-7(4-13)8(6)10/h6-8H,2-4,10H2,1H3
InChIKeyAOCIONAEHOZABI-UHFFFAOYSA-N
XLogP0.16
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine
CID 129216686
(3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol
CID 130621915
4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 59594509
[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-yl]methanone
CID 153366893
1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-2-amine
CID 150911781
[(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine
CID 124709330
[4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride
CID 122199283
[(3aR,4S,6aS)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclohexylmethanone
CID 171911549
5-(2,6-dimethylmorpholin-4-yl)-1,3,4-oxadiazol-2-amine
CID 103436547
2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106968263
4-hydroxy-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
CID 168702786
4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine
CID 103577122

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine (CID 134516010) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine is Cc1nnc(N2CC3CC(C2)C3N)o1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is AOCIONAEHOZABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-5-11-12-9(14-5)13-3-6-2-7(4-13)8(6)10/h6-8H,2-4,10H2,1H3.
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine?
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 194.24 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine is sourced from PubChem (CID 134516010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).