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

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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).