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

C10H9FN2O2 — CID 107171304

IUPAC3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCc1ccc(OCc2ncon2)cc1F
InChIInChI=1S/C10H9FN2O2/c1-7-2-3-8(4-9(7)11)14-5-10-12-6-15-13-10/h2-4,6H,5H2,1H3
InChIKeyOTXQPLIBUULFAW-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.10
Rot. Bonds3

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

3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 107171304) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID107171304
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCc1ccc(OCc2ncon2)cc1F
InChIInChI=1S/C10H9FN2O2/c1-7-2-3-8(4-9(7)11)14-5-10-12-6-15-13-10/h2-4,6H,5H2,1H3
InChIKeyOTXQPLIBUULFAW-UHFFFAOYSA-N
XLogP2.10
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine
CID 107716494
3-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 60701107
2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide
CID 82914582
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methyl-1H-1,2,4-triazole
CID 142157841
4-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 23377294
2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 107170521
2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene
CID 163577321
3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol
CID 107679961
2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
CID 99836749
[2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 107170574
1-(3-fluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395709
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole (CID 107171304) is 3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole is Cc1ccc(OCc2ncon2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is OTXQPLIBUULFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-7-2-3-8(4-9(7)11)14-5-10-12-6-15-13-10/h2-4,6H,5H2,1H3.
What are the key properties of 3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole?
3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 208.19 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 107171304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).