5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole

C8H11FN2O — CID 126996044

IUPAC5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCC(F)C2)n1
InChIInChI=1S/C8H11FN2O/c1-5-10-8(12-11-5)6-2-3-7(9)4-6/h6-7H,2-4H2,1H3
InChIKeyWDVOSSXWMMKTKH-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.98
Rot. Bonds1

About 5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole

5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 126996044) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole
PubChem CID126996044
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCC(F)C2)n1
InChIInChI=1S/C8H11FN2O/c1-5-10-8(12-11-5)6-2-3-7(9)4-6/h6-7H,2-4H2,1H3
InChIKeyWDVOSSXWMMKTKH-UHFFFAOYSA-N
XLogP1.98
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole (CID 126996044) is 5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCC(F)C2)n1.
What is the InChIKey of 5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is WDVOSSXWMMKTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-5-10-8(12-11-5)6-2-3-7(9)4-6/h6-7H,2-4H2,1H3.
What are the key properties of 5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole?
5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 170.19 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorocyclopentyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 126996044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).