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

C14H13FN2O — CID 71924878

IUPAC3-cyclopropyl-5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
SMILESFc1ccc(C2(c3nc(C4CC4)no3)CC2)cc1
InChIInChI=1S/C14H13FN2O/c15-11-5-3-10(4-6-11)14(7-8-14)13-16-12(17-18-13)9-1-2-9/h3-6,9H,1-2,7-8H2
InChIKeyQRLROQPOMWFKNL-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.17
Rot. Bonds3

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

3-cyclopropyl-5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole (PubChem CID 71924878) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
PubChem CID71924878
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name3-cyclopropyl-5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
SMILESFc1ccc(C2(c3nc(C4CC4)no3)CC2)cc1
InChIInChI=1S/C14H13FN2O/c15-11-5-3-10(4-6-11)14(7-8-14)13-16-12(17-18-13)9-1-2-9/h3-6,9H,1-2,7-8H2
InChIKeyQRLROQPOMWFKNL-UHFFFAOYSA-N
XLogP3.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole (CID 71924878) is 3-cyclopropyl-5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole is Fc1ccc(C2(c3nc(C4CC4)no3)CC2)cc1.
What is the InChIKey of 3-cyclopropyl-5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is QRLROQPOMWFKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-11-5-3-10(4-6-11)14(7-8-14)13-16-12(17-18-13)9-1-2-9/h3-6,9H,1-2,7-8H2.
What are the key properties of 3-cyclopropyl-5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 244.27 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71924878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).