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

C14H13FN2O — CID 71924882

IUPAC3-cyclopropyl-5-[1-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
SMILESFc1ccccc1C1(c2nc(C3CC3)no2)CC1
InChIInChI=1S/C14H13FN2O/c15-11-4-2-1-3-10(11)14(7-8-14)13-16-12(17-18-13)9-5-6-9/h1-4,9H,5-8H2
InChIKeyGEZXTAVAHBPNBI-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.17
Rot. Bonds3

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

3-cyclopropyl-5-[1-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole (PubChem CID 71924882) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
PubChem CID71924882
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name3-cyclopropyl-5-[1-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
SMILESFc1ccccc1C1(c2nc(C3CC3)no2)CC1
InChIInChI=1S/C14H13FN2O/c15-11-4-2-1-3-10(11)14(7-8-14)13-16-12(17-18-13)9-5-6-9/h1-4,9H,5-8H2
InChIKeyGEZXTAVAHBPNBI-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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Related Compounds

5-Benzyl-3-(chloromethyl)-1,2,4-oxadiazole
CID 12044213
5-Benzyl-1,2,4-oxadiazol-3-amine
CID 20299725
5-[1-(4-Fluorophenyl)cyclobutyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 71924872
5-[1-(4-Fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 71924875
5-[4-(4-Fluorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 72043276
3-(1-Adamantyl)-5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazole
CID 162767531
3-(1-Adamantyl)-5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazole
CID 162767532
5-((4-(Trifluoromethyl)phenyl)methyl)-1,2,4-oxadiazol-3-amine
CID 55226163
5-Benzyl-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6460939
3-(4-fluorophenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-1,2,4-oxadiazole
CID 139217157
2-(5-Benzyl-1,2,4-oxadiazol-3-yl)ethan-1-amine
CID 12551359
5-(1-Phenylcyclohexyl)-3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazole
CID 72846883

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole (CID 71924882) is 3-cyclopropyl-5-[1-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole is Fc1ccccc1C1(c2nc(C3CC3)no2)CC1.
What is the InChIKey of 3-cyclopropyl-5-[1-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is GEZXTAVAHBPNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-11-4-2-1-3-10(11)14(7-8-14)13-16-12(17-18-13)9-5-6-9/h1-4,9H,5-8H2.
What are the key properties of 3-cyclopropyl-5-[1-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-(2-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-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71924882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).