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

C13H9FN4O2 — CID 75527906

IUPAC3-cyclopropyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1noc(-c2nc(C3CC3)no2)n1
InChIInChI=1S/C13H9FN4O2/c14-9-4-2-1-3-8(9)11-16-13(20-18-11)12-15-10(17-19-12)7-5-6-7/h1-4,7H,5-6H2
InChIKeyHXHVMWDTULEYLX-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.80
Rot. Bonds3

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

3-cyclopropyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole (PubChem CID 75527906) has the molecular formula C13H9FN4O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is 3-cyclopropyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
PubChem CID75527906
Molecular FormulaC13H9FN4O2
Molecular Weight272.24 g/mol
Exact Mass272.07
IUPAC Name3-cyclopropyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1noc(-c2nc(C3CC3)no2)n1
InChIInChI=1S/C13H9FN4O2/c14-9-4-2-1-3-8(9)11-16-13(20-18-11)12-15-10(17-19-12)7-5-6-7/h1-4,7H,5-6H2
InChIKeyHXHVMWDTULEYLX-UHFFFAOYSA-N
XLogP2.80
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole (CID 75527906) is 3-cyclopropyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole is Fc1ccccc1-c1noc(-c2nc(C3CC3)no2)n1.
What is the InChIKey of 3-cyclopropyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is HXHVMWDTULEYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2/c14-9-4-2-1-3-8(9)11-16-13(20-18-11)12-15-10(17-19-12)7-5-6-7/h1-4,7H,5-6H2.
What are the key properties of 3-cyclopropyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 272.24 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 75527906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).