1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine

C9H15N3O — CID 64982322

IUPAC1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
SMILESCNC(C)c1nc(C2CCC2)no1
InChIInChI=1S/C9H15N3O/c1-6(10-2)9-11-8(12-13-9)7-4-3-5-7/h6-7,10H,3-5H2,1-2H3
InChIKeyLJMIKSWVAAYDEX-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.62
Rot. Bonds3

About 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine

1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine (PubChem CID 64982322) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
PubChem CID64982322
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
SMILESCNC(C)c1nc(C2CCC2)no1
InChIInChI=1S/C9H15N3O/c1-6(10-2)9-11-8(12-13-9)7-4-3-5-7/h6-7,10H,3-5H2,1-2H3
InChIKeyLJMIKSWVAAYDEX-UHFFFAOYSA-N
XLogP1.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethylethanamine
CID 64985920
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 64985592
N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115081093
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 63349207
1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65415723
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 59361300
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 64981709
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65353537
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 64986076
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 119817400

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine (CID 64982322) is 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine is CNC(C)c1nc(C2CCC2)no1.
What is the InChIKey of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine?
The InChIKey is LJMIKSWVAAYDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(10-2)9-11-8(12-13-9)7-4-3-5-7/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine?
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine has a molecular weight of 181.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 64982322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).