(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide

C7H9N3O2 — CID 106395515

IUPAC(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide
SMILESC/C=C/C(=O)NCc1ncon1
InChIInChI=1S/C7H9N3O2/c1-2-3-7(11)8-4-6-9-5-12-10-6/h2-3,5H,4H2,1H3,(H,8,11)/b3-2+
InChIKeyQSQWSPNZZXSIAM-NSCUHMNNSA-N
MW167.17 g/mol
LogP0.26
Rot. Bonds3

About (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide

(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide (PubChem CID 106395515) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide
PubChem CID106395515
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide
SMILESC/C=C/C(=O)NCc1ncon1
InChIInChI=1S/C7H9N3O2/c1-2-3-7(11)8-4-6-9-5-12-10-6/h2-3,5H,4H2,1H3,(H,8,11)/b3-2+
InChIKeyQSQWSPNZZXSIAM-NSCUHMNNSA-N
XLogP0.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.26
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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide
CID 78997568
(E)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]but-2-enamide
CID 103681391
(E)-4-(1,2,4-oxadiazol-3-ylmethylamino)-4-oxobut-2-enoic acid
CID 106394637
N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide
CID 106395489
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide
CID 106395560
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide
CID 106397150
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 106397928
1-[2-(1,2,4-Oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one
CID 106398562
(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine
CID 106398585
ethyl (E)-4-(1,2,4-oxadiazol-3-ylmethylamino)but-2-enoate
CID 106398696
N-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine
CID 106398717
3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine
CID 106398746

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide?
The IUPAC name of (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide (CID 106395515) is (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide.
What is the SMILES notation for (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide?
The canonical SMILES for (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide is C/C=C/C(=O)NCc1ncon1.
What is the InChIKey of (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide?
The InChIKey is QSQWSPNZZXSIAM-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-3-7(11)8-4-6-9-5-12-10-6/h2-3,5H,4H2,1H3,(H,8,11)/b3-2+.
What are the key properties of (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide?
(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide has a molecular weight of 167.17 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide is sourced from PubChem (CID 106395515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).