3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen

C4H8N2O2 — CID 153349929

IUPAC3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen
SMILESCCc1noc(=O)[nH]1.[H][H]
InChIInChI=1S/C4H6N2O2.H2/c1-2-3-5-4(7)8-6-3;/h2H2,1H3,(H,5,6,7);1H
InChIKeyXCFAQMVWPJTCIO-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.17
Rot. Bonds1

About 3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen

3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen (PubChem CID 153349929) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen.

Molecular Properties

Compound Name3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen
PubChem CID153349929
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen
SMILESCCc1noc(=O)[nH]1.[H][H]
InChIInChI=1S/C4H6N2O2.H2/c1-2-3-5-4(7)8-6-3;/h2H2,1H3,(H,5,6,7);1H
InChIKeyXCFAQMVWPJTCIO-UHFFFAOYSA-N
XLogP0.17
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen 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 3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen?
The IUPAC name of 3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen (CID 153349929) is 3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen.
What is the SMILES notation for 3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen?
The canonical SMILES for 3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen is CCc1noc(=O)[nH]1.[H][H].
What is the InChIKey of 3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen?
The InChIKey is XCFAQMVWPJTCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.H2/c1-2-3-5-4(7)8-6-3;/h2H2,1H3,(H,5,6,7);1H.
What are the key properties of 3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen?
3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen has a molecular weight of 116.12 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen is sourced from PubChem (CID 153349929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).