N-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine

C6H11N3O — CID 82239214

IUPACN-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCNCCc1ncno1
InChIInChI=1S/C6H11N3O/c1-2-7-4-3-6-8-5-9-10-6/h5,7H,2-4H2,1H3
InChIKeyQWKLYVIPKRLLPM-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.22
Rot. Bonds4

About N-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine

N-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 82239214) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID82239214
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCNCCc1ncno1
InChIInChI=1S/C6H11N3O/c1-2-7-4-3-6-8-5-9-10-6/h5,7H,2-4H2,1H3
InChIKeyQWKLYVIPKRLLPM-UHFFFAOYSA-N
XLogP0.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahydro-pyrimidine; TFA
CID 9838581
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
5-(2-Aminoethyl)-1,2,4-oxadiazol-3-amine
CID 54595504
2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 10701847
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103744177
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517
6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexan-2-amine
CID 106395177
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399628
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106399666

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 82239214) is N-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine is CCNCCc1ncno1.
What is the InChIKey of N-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is QWKLYVIPKRLLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-7-4-3-6-8-5-9-10-6/h5,7H,2-4H2,1H3.
What are the key properties of N-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 141.17 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 82239214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).