3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine

C15H21N3OS — CID 134232743

IUPAC3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H21N3OS/c1-3-6-12(4-2)8-9-16-11-14-17-18-15(19-14)13-7-5-10-20-13/h3,5,7,10,12,16H,1,4,6,8-9,11H2,2H3
InChIKeySCJJGASAYFABDF-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.88
Rot. Bonds9

About 3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine

3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine (PubChem CID 134232743) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine
PubChem CID134232743
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H21N3OS/c1-3-6-12(4-2)8-9-16-11-14-17-18-15(19-14)13-7-5-10-20-13/h3,5,7,10,12,16H,1,4,6,8-9,11H2,2H3
InChIKeySCJJGASAYFABDF-UHFFFAOYSA-N
XLogP3.88
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine?
The IUPAC name of 3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine (CID 134232743) is 3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine.
What is the SMILES notation for 3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine?
The canonical SMILES for 3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine is C=CCC(CC)CCNCc1nnc(-c2cccs2)o1.
What is the InChIKey of 3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine?
The InChIKey is SCJJGASAYFABDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-6-12(4-2)8-9-16-11-14-17-18-15(19-14)13-7-5-10-20-13/h3,5,7,10,12,16H,1,4,6,8-9,11H2,2H3.
What are the key properties of 3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine?
3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine has a molecular weight of 291.42 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]hex-5-en-1-amine is sourced from PubChem (CID 134232743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).