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

C5H7FN2O — CID 156526327

IUPAC2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C(C)F)o1
InChIInChI=1S/C5H7FN2O/c1-3(6)5-8-7-4(2)9-5/h3H,1-2H3
InChIKeyJJIZECIMACJPKJ-UHFFFAOYSA-N
MW130.12 g/mol
LogP1.41
Rot. Bonds1

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

2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 156526327) has the molecular formula C5H7FN2O and a molecular weight of 130.12 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole
PubChem CID156526327
Molecular FormulaC5H7FN2O
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C(C)F)o1
InChIInChI=1S/C5H7FN2O/c1-3(6)5-8-7-4(2)9-5/h3H,1-2H3
InChIKeyJJIZECIMACJPKJ-UHFFFAOYSA-N
XLogP1.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole (CID 156526327) is 2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(C(C)F)o1.
What is the InChIKey of 2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is JJIZECIMACJPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O/c1-3(6)5-8-7-4(2)9-5/h3H,1-2H3.
What are the key properties of 2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole?
2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 130.12 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 156526327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).