N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide

C9H15N3O3 — CID 103744014

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCCc1ncno1
InChIInChI=1S/C9H15N3O3/c1-2-5-14-6-8(13)10-4-3-9-11-7-12-15-9/h7H,2-6H2,1H3,(H,10,13)
InChIKeyDGKRPTHPPAICMA-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.15
Rot. Bonds7

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide (PubChem CID 103744014) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide
PubChem CID103744014
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCCc1ncno1
InChIInChI=1S/C9H15N3O3/c1-2-5-14-6-8(13)10-4-3-9-11-7-12-15-9/h7H,2-6H2,1H3,(H,10,13)
InChIKeyDGKRPTHPPAICMA-UHFFFAOYSA-N
XLogP0.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide (CID 103744014) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide is CCCOCC(=O)NCCc1ncno1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide?
The InChIKey is DGKRPTHPPAICMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-5-14-6-8(13)10-4-3-9-11-7-12-15-9/h7H,2-6H2,1H3,(H,10,13).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide has a molecular weight of 213.24 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide is sourced from PubChem (CID 103744014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).