3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole

C16H13FN2O3 — CID 42692283

IUPAC3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(COc3cccc(F)c3)no2)cc1
InChIInChI=1S/C16H13FN2O3/c1-20-13-7-5-11(6-8-13)16-18-15(19-22-16)10-21-14-4-2-3-12(17)9-14/h2-9H,10H2,1H3
InChIKeyDMJQFILEIAVWFR-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.46
Rot. Bonds5

About 3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole

3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 42692283) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID42692283
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(COc3cccc(F)c3)no2)cc1
InChIInChI=1S/C16H13FN2O3/c1-20-13-7-5-11(6-8-13)16-18-15(19-22-16)10-21-14-4-2-3-12(17)9-14/h2-9H,10H2,1H3
InChIKeyDMJQFILEIAVWFR-UHFFFAOYSA-N
XLogP3.46
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 42692283) is 3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(COc3cccc(F)c3)no2)cc1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is DMJQFILEIAVWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-20-13-7-5-11(6-8-13)16-18-15(19-22-16)10-21-14-4-2-3-12(17)9-14/h2-9H,10H2,1H3.
What are the key properties of 3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 300.29 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42692283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).