2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole

C8H11FN2O — CID 121357124

IUPAC2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C2(F)CC2)o1
InChIInChI=1S/C8H11FN2O/c1-5(2)6-10-11-7(12-6)8(9)3-4-8/h5H,3-4H2,1-2H3
InChIKeyYWBHQGNZYMJPRY-UHFFFAOYSA-N
MW170.19 g/mol
LogP2.15
Rot. Bonds2

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

2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 121357124) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID121357124
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C2(F)CC2)o1
InChIInChI=1S/C8H11FN2O/c1-5(2)6-10-11-7(12-6)8(9)3-4-8/h5H,3-4H2,1-2H3
InChIKeyYWBHQGNZYMJPRY-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole 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 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole (CID 121357124) is 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(C2(F)CC2)o1.
What is the InChIKey of 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is YWBHQGNZYMJPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-5(2)6-10-11-7(12-6)8(9)3-4-8/h5H,3-4H2,1-2H3.
What are the key properties of 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 170.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 121357124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).