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

C6H7FN2O — CID 121358174

IUPAC2-(1-fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2(F)CC2)o1
InChIInChI=1S/C6H7FN2O/c1-4-8-9-5(10-4)6(7)2-3-6/h2-3H2,1H3
InChIKeyATSWEMHXEZUFHC-UHFFFAOYSA-N
MW142.13 g/mol
LogP1.34
Rot. Bonds1

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

2-(1-fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 121358174) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole
PubChem CID121358174
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name2-(1-fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2(F)CC2)o1
InChIInChI=1S/C6H7FN2O/c1-4-8-9-5(10-4)6(7)2-3-6/h2-3H2,1H3
InChIKeyATSWEMHXEZUFHC-UHFFFAOYSA-N
XLogP1.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole (CID 121358174) is 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(C2(F)CC2)o1.
What is the InChIKey of 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is ATSWEMHXEZUFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-4-8-9-5(10-4)6(7)2-3-6/h2-3H2,1H3.
What are the key properties of 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole?
2-(1-fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 142.13 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 121358174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).