2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide

C9H14N4O2 — CID 106398811

IUPAC2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCc1ncon1
InChIInChI=1S/C9H14N4O2/c1-3-4-10-9(14)7(2)11-5-8-12-6-15-13-8/h3,6-7,11H,1,4-5H2,2H3,(H,10,14)
InChIKeyFHYKPQANWUGKNE-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.15
Rot. Bonds6

About 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide

2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide (PubChem CID 106398811) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide
PubChem CID106398811
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCc1ncon1
InChIInChI=1S/C9H14N4O2/c1-3-4-10-9(14)7(2)11-5-8-12-6-15-13-8/h3,6-7,11H,1,4-5H2,2H3,(H,10,14)
InChIKeyFHYKPQANWUGKNE-UHFFFAOYSA-N
XLogP-0.15
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide (CID 106398811) is 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCc1ncon1.
What is the InChIKey of 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide?
The InChIKey is FHYKPQANWUGKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-4-10-9(14)7(2)11-5-8-12-6-15-13-8/h3,6-7,11H,1,4-5H2,2H3,(H,10,14).
What are the key properties of 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide?
2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide has a molecular weight of 210.24 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 106398811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).