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

C16H12F2N2O2 — CID 42692377

IUPAC3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1cc(F)ccc1OCc1noc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H12F2N2O2/c1-10-7-13(18)5-6-14(10)21-9-15-19-16(22-20-15)11-3-2-4-12(17)8-11/h2-8H,9H2,1H3
InChIKeyXOVHBOYUMSZLTE-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.90
Rot. Bonds4

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

3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 42692377) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
PubChem CID42692377
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1cc(F)ccc1OCc1noc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H12F2N2O2/c1-10-7-13(18)5-6-14(10)21-9-15-19-16(22-20-15)11-3-2-4-12(17)8-11/h2-8H,9H2,1H3
InChIKeyXOVHBOYUMSZLTE-UHFFFAOYSA-N
XLogP3.90
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole
CID 42692406
5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692370
3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42880227
5-(3-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42692369
3-[(2,4-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878790
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115079227
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 42692407
5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 167795893
5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692446
3-(diethoxyphosphorylmethyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 86661559
5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692396

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole (CID 42692377) is 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole is Cc1cc(F)ccc1OCc1noc(-c2cccc(F)c2)n1.
What is the InChIKey of 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is XOVHBOYUMSZLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-10-7-13(18)5-6-14(10)21-9-15-19-16(22-20-15)11-3-2-4-12(17)8-11/h2-8H,9H2,1H3.
What are the key properties of 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole?
3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 302.28 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42692377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).