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

C5H7FN2O2 — CID 139835743

IUPAC5-(fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(CF)n1
InChIInChI=1S/C5H7FN2O2/c1-9-3-4-7-5(2-6)10-8-4/h2-3H2,1H3
InChIKeyLIZFCBKGMRGUMD-UHFFFAOYSA-N
MW146.12 g/mol
LogP0.69
Rot. Bonds3

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

5-(fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 139835743) has the molecular formula C5H7FN2O2 and a molecular weight of 146.12 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID139835743
Molecular FormulaC5H7FN2O2
Molecular Weight146.12 g/mol
Exact Mass146.05
IUPAC Name5-(fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(CF)n1
InChIInChI=1S/C5H7FN2O2/c1-9-3-4-7-5(2-6)10-8-4/h2-3H2,1H3
InChIKeyLIZFCBKGMRGUMD-UHFFFAOYSA-N
XLogP0.69
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Methyl-1,2,4-oxadiazol-3-yl)methanol
CID 16767502
Ethyl 5-methyl-[1,2,4]oxadiazole-3-carboxylate
CID 13597566
5-(Chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 25219243
Ethyl 5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxylate
CID 46835429
3-(Methoxymethyl)-1,2,4-oxadiazol-5-amine
CID 62470538
5-Chloro-3-(methoxymethyl)-1,2,4-oxadiazole
CID 62596856
Ethyl 5-(difluoromethyl)-1,2,4-oxadiazole-3-carboxylate
CID 104632904
(3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl)methanamine
CID 25219208
(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-YL)methanol
CID 53401468
5-(Difluoromethyl)-3-methyl-1,2,4-oxadiazole
CID 53948191
3-[(1,1-Difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2,4-oxadiazole
CID 58044652
3-(1,1-Difluoropropoxymethyl)-5-methyl-1,2,4-oxadiazole
CID 68081263

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole (CID 139835743) is 5-(fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(CF)n1.
What is the InChIKey of 5-(fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is LIZFCBKGMRGUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O2/c1-9-3-4-7-5(2-6)10-8-4/h2-3H2,1H3.
What are the key properties of 5-(fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole?
5-(fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 146.12 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 139835743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).