N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide

C7H9N3O2 — CID 106395560

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1ncon1
InChIInChI=1S/C7H9N3O2/c1-2-7(11)8-4-3-6-9-5-12-10-6/h2,5H,1,3-4H2,(H,8,11)
InChIKeyWYQFLZHYSWNDKX-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.09
Rot. Bonds4

About N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide (PubChem CID 106395560) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide
PubChem CID106395560
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1ncon1
InChIInChI=1S/C7H9N3O2/c1-2-7(11)8-4-3-6-9-5-12-10-6/h2,5H,1,3-4H2,(H,8,11)
InChIKeyWYQFLZHYSWNDKX-UHFFFAOYSA-N
XLogP-0.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 103677635
(E)-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobut-2-enoic acid
CID 106394764
N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide
CID 106395489
(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide
CID 106395515
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
CID 106395526
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide
CID 106397150
2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 106397723
3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106397824
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 106397928
(E)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-2-en-1-amine
CID 106400411
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine
CID 106400467
3-[2-(1,2,4-Oxadiazol-3-yl)ethylamino]propanamide
CID 106400586

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide (CID 106395560) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide is C=CC(=O)NCCc1ncon1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide?
The InChIKey is WYQFLZHYSWNDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-7(11)8-4-3-6-9-5-12-10-6/h2,5H,1,3-4H2,(H,8,11).
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide has a molecular weight of 167.17 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 106395560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).