3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole

C17H11FN4O2 — CID 91917199

IUPAC3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1noc(-c2nc(Cc3ccccc3)no2)n1
InChIInChI=1S/C17H11FN4O2/c18-13-9-5-4-8-12(13)15-20-17(24-22-15)16-19-14(21-23-16)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyOCXUONMGYAKPRU-UHFFFAOYSA-N
MW322.30 g/mol
LogP3.52
Rot. Bonds4

About 3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole

3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole (PubChem CID 91917199) has the molecular formula C17H11FN4O2 and a molecular weight of 322.30 g/mol. Its IUPAC name is 3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
PubChem CID91917199
Molecular FormulaC17H11FN4O2
Molecular Weight322.30 g/mol
Exact Mass322.09
IUPAC Name3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1noc(-c2nc(Cc3ccccc3)no2)n1
InChIInChI=1S/C17H11FN4O2/c18-13-9-5-4-8-12(13)15-20-17(24-22-15)16-19-14(21-23-16)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyOCXUONMGYAKPRU-UHFFFAOYSA-N
XLogP3.52
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole (CID 91917199) is 3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole is Fc1ccccc1-c1noc(-c2nc(Cc3ccccc3)no2)n1.
What is the InChIKey of 3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is OCXUONMGYAKPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2/c18-13-9-5-4-8-12(13)15-20-17(24-22-15)16-19-14(21-23-16)10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 322.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 91917199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).