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

C4H5IN2O2 — CID 112572172

IUPAC3-iodo-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1nc(I)no1
InChIInChI=1S/C4H5IN2O2/c1-8-2-3-6-4(5)7-9-3/h2H2,1H3
InChIKeyDYXZKDVJTIQWKN-UHFFFAOYSA-N
MW240.00 g/mol
LogP0.82
Rot. Bonds2

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

3-iodo-5-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 112572172) has the molecular formula C4H5IN2O2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 3-iodo-5-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-iodo-5-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID112572172
Molecular FormulaC4H5IN2O2
Molecular Weight240.00 g/mol
Exact Mass239.94
IUPAC Name3-iodo-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1nc(I)no1
InChIInChI=1S/C4H5IN2O2/c1-8-2-3-6-4(5)7-9-3/h2H2,1H3
InChIKeyDYXZKDVJTIQWKN-UHFFFAOYSA-N
XLogP0.82
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.00
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-iodo-5-(methoxymethyl)-1,2,4-oxadiazole (CID 112572172) is 3-iodo-5-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-iodo-5-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-iodo-5-(methoxymethyl)-1,2,4-oxadiazole is COCc1nc(I)no1.
What is the InChIKey of 3-iodo-5-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is DYXZKDVJTIQWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2O2/c1-8-2-3-6-4(5)7-9-3/h2H2,1H3.
What are the key properties of 3-iodo-5-(methoxymethyl)-1,2,4-oxadiazole?
3-iodo-5-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 240.00 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112572172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).