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

C13H13FN2O2 — CID 71924875

IUPAC5-[1-(4-fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(C2(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C13H13FN2O2/c1-17-8-11-15-12(18-16-11)13(6-7-13)9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3
InChIKeyFUVJOUPTEOUELZ-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.43
Rot. Bonds4

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

5-[1-(4-fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 71924875) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID71924875
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name5-[1-(4-fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(C2(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C13H13FN2O2/c1-17-8-11-15-12(18-16-11)13(6-7-13)9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3
InChIKeyFUVJOUPTEOUELZ-UHFFFAOYSA-N
XLogP2.43
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-Bromophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 53620763
5-[4-(4-Chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 53620776
5-[4-(3-Chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 56785007
5-[1-(4-Fluorophenyl)cyclobutyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 71924872
5-[4-(4-Fluorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 72043276
5-(1-Phenylcyclohexyl)-3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazole
CID 72846883
3-Tert-butyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole
CID 53620787
3-Cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole
CID 53621745
3-Cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole
CID 56785001
3-Benzyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole
CID 56804167
3-Cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole
CID 56804177
5-[(2,3-Difluorophenyl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 56858312

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole (CID 71924875) is 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(C2(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is FUVJOUPTEOUELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-17-8-11-15-12(18-16-11)13(6-7-13)9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3.
What are the key properties of 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[1-(4-fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 248.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71924875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).