(E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide

C8H11N3O2 — CID 103744070

IUPAC(E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCc1ncno1
InChIInChI=1S/C8H11N3O2/c1-2-3-7(12)9-5-4-8-10-6-11-13-8/h2-3,6H,4-5H2,1H3,(H,9,12)/b3-2+
InChIKeyHYFKFQZIWQFLIA-NSCUHMNNSA-N
MW181.20 g/mol
LogP0.30
Rot. Bonds4

About (E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide

(E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide (PubChem CID 103744070) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is (E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide
PubChem CID103744070
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name(E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCc1ncno1
InChIInChI=1S/C8H11N3O2/c1-2-3-7(12)9-5-4-8-10-6-11-13-8/h2-3,6H,4-5H2,1H3,(H,9,12)/b3-2+
InChIKeyHYFKFQZIWQFLIA-NSCUHMNNSA-N
XLogP0.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.30
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

3-(diaminomethylideneamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 156106453
2,2-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103743971
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103743987
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744036
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744047
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103744048
1-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-oxopyridine-4-carboxamide
CID 103744059
1,3-Dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 103744522
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106391530
(E)-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobut-2-enoic acid
CID 106394702
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
CID 106395526
3-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397230

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide (CID 103744070) is (E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide is C/C=C/C(=O)NCCc1ncno1.
What is the InChIKey of (E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide?
The InChIKey is HYFKFQZIWQFLIA-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-3-7(12)9-5-4-8-10-6-11-13-8/h2-3,6H,4-5H2,1H3,(H,9,12)/b3-2+.
What are the key properties of (E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide?
(E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide has a molecular weight of 181.20 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide is sourced from PubChem (CID 103744070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).