2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine

C9H15N3O — CID 115015955

IUPAC2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC1(c2noc(CCN)n2)CCC1
InChIInChI=1S/C9H15N3O/c1-9(4-2-5-9)8-11-7(3-6-10)13-12-8/h2-6,10H2,1H3
InChIKeyOOSWDQWOYCBXPG-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.01
Rot. Bonds3

About 2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine

2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 115015955) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID115015955
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC1(c2noc(CCN)n2)CCC1
InChIInChI=1S/C9H15N3O/c1-9(4-2-5-9)8-11-7(3-6-10)13-12-8/h2-6,10H2,1H3
InChIKeyOOSWDQWOYCBXPG-UHFFFAOYSA-N
XLogP1.01
TPSA64.94 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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115027385
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104880780
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859920
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116743201
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104609736
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 102655553
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 116743145
2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
CID 106483179
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 61351745

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 115015955) is 2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine is CC1(c2noc(CCN)n2)CCC1.
What is the InChIKey of 2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is OOSWDQWOYCBXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(4-2-5-9)8-11-7(3-6-10)13-12-8/h2-6,10H2,1H3.
What are the key properties of 2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 181.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 115015955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).