5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole

C4H5ClN2O2 — CID 62596856

IUPAC5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(Cl)n1
InChIInChI=1S/C4H5ClN2O2/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3
InChIKeyHIDHDJCGYSEMSS-UHFFFAOYSA-N
MW148.55 g/mol
LogP0.87
Rot. Bonds2

About 5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole

5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 62596856) has the molecular formula C4H5ClN2O2 and a molecular weight of 148.55 g/mol. Its IUPAC name is 5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID62596856
Molecular FormulaC4H5ClN2O2
Molecular Weight148.55 g/mol
Exact Mass148.00
IUPAC Name5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(Cl)n1
InChIInChI=1S/C4H5ClN2O2/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3
InChIKeyHIDHDJCGYSEMSS-UHFFFAOYSA-N
XLogP0.87
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.55
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-(methoxymethyl)-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 5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole (CID 62596856) is 5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(Cl)n1.
What is the InChIKey of 5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is HIDHDJCGYSEMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O2/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3.
What are the key properties of 5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole?
5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 148.55 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62596856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).