3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine

C10H16N4O — CID 129216686

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESCc1nnc(N2CC3CCC(C2)C3N)o1
InChIInChI=1S/C10H16N4O/c1-6-12-13-10(15-6)14-4-7-2-3-8(5-14)9(7)11/h7-9H,2-5,11H2,1H3
InChIKeyDMTNETVVDKZVDR-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.55
Rot. Bonds1

About 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine

3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 129216686) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID129216686
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESCc1nnc(N2CC3CCC(C2)C3N)o1
InChIInChI=1S/C10H16N4O/c1-6-12-13-10(15-6)14-4-7-2-3-8(5-14)9(7)11/h7-9H,2-5,11H2,1H3
InChIKeyDMTNETVVDKZVDR-UHFFFAOYSA-N
XLogP0.55
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.55
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[3.1.1]heptan-6-amine
CID 134516010
(3S,4R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3,4-diol
CID 130621915
1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-2-amine
CID 150911781
4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 59594509
[(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
(1R,5S)-3-(2-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine
CID 129232027
(1S,5R)-3-(2-chloro-6-methyl-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 129216587
[(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
[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 166266987
[(2S,4R)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine
CID 124709330
5-(2,6-dimethylmorpholin-4-yl)-1,3,4-oxadiazol-2-amine
CID 103436547
2-methyl-5-[(1R,5S)-8-[[5-(trifluoromethyl)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole
CID 158424068

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine (CID 129216686) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine is Cc1nnc(N2CC3CCC(C2)C3N)o1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is DMTNETVVDKZVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-6-12-13-10(15-6)14-4-7-2-3-8(5-14)9(7)11/h7-9H,2-5,11H2,1H3.
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine?
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 208.26 g/mol, XLogP of 0.55, 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[3.2.1]octan-8-amine is sourced from PubChem (CID 129216686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).