2-(1,2,4-oxadiazol-5-yl)butan-2-amine

C6H11N3O — CID 102993856

IUPAC2-(1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCC(C)(N)c1ncno1
InChIInChI=1S/C6H11N3O/c1-3-6(2,7)5-8-4-9-10-5/h4H,3,7H2,1-2H3
InChIKeyMUGXGGDUTUQOGP-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.65
Rot. Bonds2

About 2-(1,2,4-oxadiazol-5-yl)butan-2-amine

2-(1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 102993856) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID102993856
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCC(C)(N)c1ncno1
InChIInChI=1S/C6H11N3O/c1-3-6(2,7)5-8-4-9-10-5/h4H,3,7H2,1-2H3
InChIKeyMUGXGGDUTUQOGP-UHFFFAOYSA-N
XLogP0.65
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,2,4-oxadiazol-5-yl)butan-2-amine 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

1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine
CID 82235847
5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole
CID 139524801
2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798839
2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 115528681
5-ethyl-1,2,4-oxadiazole
CID 19928681
2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798166
3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 131081533
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 79798411
2-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115384970
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 136984506
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79799121
2-(2-chlorothiophen-3-yl)butan-2-amine
CID 131092060

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of 2-(1,2,4-oxadiazol-5-yl)butan-2-amine (CID 102993856) is 2-(1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-yl)butan-2-amine is CCC(C)(N)c1ncno1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is MUGXGGDUTUQOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-6(2,7)5-8-4-9-10-5/h4H,3,7H2,1-2H3.
What are the key properties of 2-(1,2,4-oxadiazol-5-yl)butan-2-amine?
2-(1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 141.17 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 102993856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).