5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one

C6H7FN2O2 — CID 130871143

IUPAC5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
SMILESCC1(c2n[nH]c(=O)o2)CC1F
InChIInChI=1S/C6H7FN2O2/c1-6(2-3(6)7)4-8-9-5(10)11-4/h3H,2H2,1H3,(H,9,10)
InChIKeyQNHIFONWORAUEA-UHFFFAOYSA-N
MW158.13 g/mol
LogP0.36
Rot. Bonds1

About 5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one

5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 130871143) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID130871143
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
SMILESCC1(c2n[nH]c(=O)o2)CC1F
InChIInChI=1S/C6H7FN2O2/c1-6(2-3(6)7)4-8-9-5(10)11-4/h3H,2H2,1H3,(H,9,10)
InChIKeyQNHIFONWORAUEA-UHFFFAOYSA-N
XLogP0.36
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one (CID 130871143) is 5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one is CC1(c2n[nH]c(=O)o2)CC1F.
What is the InChIKey of 5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is QNHIFONWORAUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c1-6(2-3(6)7)4-8-9-5(10)11-4/h3H,2H2,1H3,(H,9,10).
What are the key properties of 5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one?
5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 158.13 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 130871143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).