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

C7H8N4O2 — CID 104919798

IUPAC2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESN#CCC(=O)NCCc1ncon1
InChIInChI=1S/C7H8N4O2/c8-3-1-7(12)9-4-2-6-10-5-13-11-6/h5H,1-2,4H2,(H,9,12)
InChIKeyXCHDJPORMIIGPC-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.36
Rot. Bonds4

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

2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 104919798) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID104919798
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESN#CCC(=O)NCCc1ncon1
InChIInChI=1S/C7H8N4O2/c8-3-1-7(12)9-4-2-6-10-5-13-11-6/h5H,1-2,4H2,(H,9,12)
InChIKeyXCHDJPORMIIGPC-UHFFFAOYSA-N
XLogP-0.36
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.36
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]acetamide?
The IUPAC name of 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 104919798) is 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide is N#CCC(=O)NCCc1ncon1.
What is the InChIKey of 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is XCHDJPORMIIGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c8-3-1-7(12)9-4-2-6-10-5-13-11-6/h5H,1-2,4H2,(H,9,12).
What are the key properties of 2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
2-cyano-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 180.17 g/mol, XLogP of -0.36, 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]acetamide is sourced from PubChem (CID 104919798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).