3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide

C9H16N4O2 — CID 106397230

IUPAC3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCCNCCC(=O)NCCc1ncno1
InChIInChI=1S/C9H16N4O2/c1-2-10-5-3-8(14)11-6-4-9-12-7-13-15-9/h7,10H,2-6H2,1H3,(H,11,14)
InChIKeyOLPDYDDWJRSSNA-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.27
Rot. Bonds7

About 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide

3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 106397230) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID106397230
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCCNCCC(=O)NCCc1ncno1
InChIInChI=1S/C9H16N4O2/c1-2-10-5-3-8(14)11-6-4-9-12-7-13-15-9/h7,10H,2-6H2,1H3,(H,11,14)
InChIKeyOLPDYDDWJRSSNA-UHFFFAOYSA-N
XLogP-0.27
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine
CID 9815409
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
2,2-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 103603973
3-(acetylamino)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 91833949
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
3-Propan-2-yl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10750333
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
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397241

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 106397230) is 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is CCNCCC(=O)NCCc1ncno1.
What is the InChIKey of 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is OLPDYDDWJRSSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-10-5-3-8(14)11-6-4-9-12-7-13-15-9/h7,10H,2-6H2,1H3,(H,11,14).
What are the key properties of 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 212.25 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 106397230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).