3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole

C6H8F2N2O2 — CID 90124930

IUPAC3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(COC(C)(F)F)no1
InChIInChI=1S/C6H8F2N2O2/c1-4-9-5(10-12-4)3-11-6(2,7)8/h3H2,1-2H3
InChIKeyMXXFPYGWGOMNMK-UHFFFAOYSA-N
MW178.14 g/mol
LogP1.51
Rot. Bonds3

About 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole

3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 90124930) has the molecular formula C6H8F2N2O2 and a molecular weight of 178.14 g/mol. Its IUPAC name is 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole
PubChem CID90124930
Molecular FormulaC6H8F2N2O2
Molecular Weight178.14 g/mol
Exact Mass178.06
IUPAC Name3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(COC(C)(F)F)no1
InChIInChI=1S/C6H8F2N2O2/c1-4-9-5(10-12-4)3-11-6(2,7)8/h3H2,1-2H3
InChIKeyMXXFPYGWGOMNMK-UHFFFAOYSA-N
XLogP1.51
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole (CID 90124930) is 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole is Cc1nc(COC(C)(F)F)no1.
What is the InChIKey of 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is MXXFPYGWGOMNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O2/c1-4-9-5(10-12-4)3-11-6(2,7)8/h3H2,1-2H3.
What are the key properties of 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole?
3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 178.14 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 90124930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).