2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C12H17N3OS — CID 61325485

IUPAC2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(CCCc2cccs2)n1
InChIInChI=1S/C12H17N3OS/c1-12(2,13)11-14-10(16-15-11)7-3-5-9-6-4-8-17-9/h4,6,8H,3,5,7,13H2,1-2H3
InChIKeyLQQWSXILPBGXBY-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.50
Rot. Bonds5

About 2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 61325485) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID61325485
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(CCCc2cccs2)n1
InChIInChI=1S/C12H17N3OS/c1-12(2,13)11-14-10(16-15-11)7-3-5-9-6-4-8-17-9/h4,6,8H,3,5,7,13H2,1-2H3
InChIKeyLQQWSXILPBGXBY-UHFFFAOYSA-N
XLogP2.50
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-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

2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323618
2-(5-pentyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 61326284
2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 114753767
2-[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119930333
2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
CID 47002453
3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole
CID 71920891
2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325696
2-butylthiophene;methanamine
CID 143080300
4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
CID 43670980
2-methyl-6-thiophen-2-ylhexan-2-ol
CID 96656971
N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226182
4-[3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 116740345

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 61325485) is 2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(C)(N)c1noc(CCCc2cccs2)n1.
What is the InChIKey of 2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is LQQWSXILPBGXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-12(2,13)11-14-10(16-15-11)7-3-5-9-6-4-8-17-9/h4,6,8H,3,5,7,13H2,1-2H3.
What are the key properties of 2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 251.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 61325485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).