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

C8H10N4O2 — CID 103718147

IUPAC2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCC(C#N)C(=O)NCCc1ncon1
InChIInChI=1S/C8H10N4O2/c1-6(4-9)8(13)10-3-2-7-11-5-14-12-7/h5-6H,2-3H2,1H3,(H,10,13)
InChIKeyAKLQXGIUDYJZRM-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.11
Rot. Bonds4

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

2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 103718147) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
PubChem CID103718147
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCC(C#N)C(=O)NCCc1ncon1
InChIInChI=1S/C8H10N4O2/c1-6(4-9)8(13)10-3-2-7-11-5-14-12-7/h5-6H,2-3H2,1H3,(H,10,13)
InChIKeyAKLQXGIUDYJZRM-UHFFFAOYSA-N
XLogP-0.11
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The IUPAC name of 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide (CID 103718147) is 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide is CC(C#N)C(=O)NCCc1ncon1.
What is the InChIKey of 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The InChIKey is AKLQXGIUDYJZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-6(4-9)8(13)10-3-2-7-11-5-14-12-7/h5-6H,2-3H2,1H3,(H,10,13).
What are the key properties of 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 194.19 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 103718147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).