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

C12H9FN4O2S — CID 119050358

IUPAC3-[(2-fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1nnsc1-c1nc(COc2ccccc2F)no1
InChIInChI=1S/C12H9FN4O2S/c1-7-11(20-17-15-7)12-14-10(16-19-12)6-18-9-5-3-2-4-8(9)13/h2-5H,6H2,1H3
InChIKeyFJRXTWUPSPVJEF-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.61
Rot. Bonds4

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

3-[(2-fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 119050358) has the molecular formula C12H9FN4O2S and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-[(2-fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole
PubChem CID119050358
Molecular FormulaC12H9FN4O2S
Molecular Weight292.29 g/mol
Exact Mass292.04
IUPAC Name3-[(2-fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1nnsc1-c1nc(COc2ccccc2F)no1
InChIInChI=1S/C12H9FN4O2S/c1-7-11(20-17-15-7)12-14-10(16-19-12)6-18-9-5-3-2-4-8(9)13/h2-5H,6H2,1H3
InChIKeyFJRXTWUPSPVJEF-UHFFFAOYSA-N
XLogP2.61
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole (CID 119050358) is 3-[(2-fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole is Cc1nnsc1-c1nc(COc2ccccc2F)no1.
What is the InChIKey of 3-[(2-fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is FJRXTWUPSPVJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2S/c1-7-11(20-17-15-7)12-14-10(16-19-12)6-18-9-5-3-2-4-8(9)13/h2-5H,6H2,1H3.
What are the key properties of 3-[(2-fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole?
3-[(2-fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 292.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenoxy)methyl]-5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 119050358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).