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

C9H13FN2O — CID 130670023

IUPAC3-ethyl-5-(1-fluorocyclopentyl)-1,2,4-oxadiazole
SMILESCCc1noc(C2(F)CCCC2)n1
InChIInChI=1S/C9H13FN2O/c1-2-7-11-8(13-12-7)9(10)5-3-4-6-9/h2-6H2,1H3
InChIKeyHZWQVDQTMIXXOC-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.37
Rot. Bonds2

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

3-ethyl-5-(1-fluorocyclopentyl)-1,2,4-oxadiazole (PubChem CID 130670023) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 3-ethyl-5-(1-fluorocyclopentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(1-fluorocyclopentyl)-1,2,4-oxadiazole
PubChem CID130670023
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name3-ethyl-5-(1-fluorocyclopentyl)-1,2,4-oxadiazole
SMILESCCc1noc(C2(F)CCCC2)n1
InChIInChI=1S/C9H13FN2O/c1-2-7-11-8(13-12-7)9(10)5-3-4-6-9/h2-6H2,1H3
InChIKeyHZWQVDQTMIXXOC-UHFFFAOYSA-N
XLogP2.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(1-fluorocyclopentyl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(1-fluorocyclopentyl)-1,2,4-oxadiazole (CID 130670023) is 3-ethyl-5-(1-fluorocyclopentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(1-fluorocyclopentyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(1-fluorocyclopentyl)-1,2,4-oxadiazole is CCc1noc(C2(F)CCCC2)n1.
What is the InChIKey of 3-ethyl-5-(1-fluorocyclopentyl)-1,2,4-oxadiazole?
The InChIKey is HZWQVDQTMIXXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-2-7-11-8(13-12-7)9(10)5-3-4-6-9/h2-6H2,1H3.
What are the key properties of 3-ethyl-5-(1-fluorocyclopentyl)-1,2,4-oxadiazole?
3-ethyl-5-(1-fluorocyclopentyl)-1,2,4-oxadiazole has a molecular weight of 184.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(1-fluorocyclopentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 130670023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).