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

C8H11FN2O — CID 144981759

IUPAC2-ethyl-5-(3-fluorocyclobutyl)-1,3,4-oxadiazole
SMILESCCc1nnc(C2CC(F)C2)o1
InChIInChI=1S/C8H11FN2O/c1-2-7-10-11-8(12-7)5-3-6(9)4-5/h5-6H,2-4H2,1H3
InChIKeyOEOFOBRMVZETRI-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.85
Rot. Bonds2

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

2-ethyl-5-(3-fluorocyclobutyl)-1,3,4-oxadiazole (PubChem CID 144981759) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-ethyl-5-(3-fluorocyclobutyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-(3-fluorocyclobutyl)-1,3,4-oxadiazole
PubChem CID144981759
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name2-ethyl-5-(3-fluorocyclobutyl)-1,3,4-oxadiazole
SMILESCCc1nnc(C2CC(F)C2)o1
InChIInChI=1S/C8H11FN2O/c1-2-7-10-11-8(12-7)5-3-6(9)4-5/h5-6H,2-4H2,1H3
InChIKeyOEOFOBRMVZETRI-UHFFFAOYSA-N
XLogP1.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(3-fluorocyclobutyl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-(3-fluorocyclobutyl)-1,3,4-oxadiazole (CID 144981759) is 2-ethyl-5-(3-fluorocyclobutyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-(3-fluorocyclobutyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-(3-fluorocyclobutyl)-1,3,4-oxadiazole is CCc1nnc(C2CC(F)C2)o1.
What is the InChIKey of 2-ethyl-5-(3-fluorocyclobutyl)-1,3,4-oxadiazole?
The InChIKey is OEOFOBRMVZETRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-2-7-10-11-8(12-7)5-3-6(9)4-5/h5-6H,2-4H2,1H3.
What are the key properties of 2-ethyl-5-(3-fluorocyclobutyl)-1,3,4-oxadiazole?
2-ethyl-5-(3-fluorocyclobutyl)-1,3,4-oxadiazole has a molecular weight of 170.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-fluorocyclobutyl)-1,3,4-oxadiazole is sourced from PubChem (CID 144981759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).