5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole

C11H11FN2O2 — CID 167795893

IUPAC5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(-c2ccc(F)cc2C)n1
InChIInChI=1S/C11H11FN2O2/c1-7-5-8(12)3-4-9(7)11-13-10(6-15-2)14-16-11/h3-5H,6H2,1-2H3
InChIKeyKNLZUTXODVJLLP-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.33
Rot. Bonds3

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

5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 167795893) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID167795893
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(-c2ccc(F)cc2C)n1
InChIInChI=1S/C11H11FN2O2/c1-7-5-8(12)3-4-9(7)11-13-10(6-15-2)14-16-11/h3-5H,6H2,1-2H3
InChIKeyKNLZUTXODVJLLP-UHFFFAOYSA-N
XLogP2.33
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42880227
4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751036
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethylaniline
CID 63112617
5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701059
4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751338
3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 42692377
2-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 113400116
3-methyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136927411
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
CID 103827457
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323958
1-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 113443214
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-4-(trifluoromethyl)aniline
CID 66270093

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole (CID 167795893) is 5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(-c2ccc(F)cc2C)n1.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is KNLZUTXODVJLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-7-5-8(12)3-4-9(7)11-13-10(6-15-2)14-16-11/h3-5H,6H2,1-2H3.
What are the key properties of 5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole?
5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 222.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167795893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).