3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole

C11H11FN2O2 — CID 64854334

IUPAC3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
SMILESCc1ccc(F)c(OCc2nonc2C)c1
InChIInChI=1S/C11H11FN2O2/c1-7-3-4-9(12)11(5-7)15-6-10-8(2)13-16-14-10/h3-5H,6H2,1-2H3
InChIKeyGEHMYYMHOXSDGS-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.40
Rot. Bonds3

About 3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole

3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole (PubChem CID 64854334) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
PubChem CID64854334
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
SMILESCc1ccc(F)c(OCc2nonc2C)c1
InChIInChI=1S/C11H11FN2O2/c1-7-3-4-9(12)11(5-7)15-6-10-8(2)13-16-14-10/h3-5H,6H2,1-2H3
InChIKeyGEHMYYMHOXSDGS-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline
CID 19832742
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
CID 64765671
5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 64854154
4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467910
2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid
CID 114198283
3-methyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoic acid
CID 107673641
5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid
CID 64853998
2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine
CID 103054875
5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole
CID 66142376
3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692342
2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine
CID 64854335

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole (CID 64854334) is 3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole is Cc1ccc(F)c(OCc2nonc2C)c1.
What is the InChIKey of 3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is GEHMYYMHOXSDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-7-3-4-9(12)11(5-7)15-6-10-8(2)13-16-14-10/h3-5H,6H2,1-2H3.
What are the key properties of 3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole?
3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 222.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 64854334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).