(5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole

C5H8N2O — CID 143496386

IUPAC(5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole
SMILESC/C=C1/N=C(C)NO1
InChIInChI=1S/C5H8N2O/c1-3-5-6-4(2)7-8-5/h3H,1-2H3,(H,6,7)/b5-3-
InChIKeyIUMFZXPJNXHHGQ-HYXAFXHYSA-N
MW112.13 g/mol
LogP0.80
Rot. Bonds

About (5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole

(5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole (PubChem CID 143496386) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole.

Molecular Properties

Compound Name(5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole
PubChem CID143496386
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole
SMILESC/C=C1/N=C(C)NO1
InChIInChI=1S/C5H8N2O/c1-3-5-6-4(2)7-8-5/h3H,1-2H3,(H,6,7)/b5-3-
InChIKeyIUMFZXPJNXHHGQ-HYXAFXHYSA-N
XLogP0.80
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole?
The IUPAC name of (5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole (CID 143496386) is (5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole.
What is the SMILES notation for (5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole?
The canonical SMILES for (5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole is C/C=C1/N=C(C)NO1.
What is the InChIKey of (5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole?
The InChIKey is IUMFZXPJNXHHGQ-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-3-5-6-4(2)7-8-5/h3H,1-2H3,(H,6,7)/b5-3-.
What are the key properties of (5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole?
(5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole has a molecular weight of 112.13 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidene-3-methyl-2H-1,2,4-oxadiazole is sourced from PubChem (CID 143496386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).