3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one

C9H10F2N2O2 — CID 64986069

IUPAC3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
SMILESO=C(Cc1nc(C2CCC2)no1)C(F)F
InChIInChI=1S/C9H10F2N2O2/c10-8(11)6(14)4-7-12-9(13-15-7)5-2-1-3-5/h5,8H,1-4H2
InChIKeyQBQAFMQRMOBZNB-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.71
Rot. Bonds4

About 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one

3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one (PubChem CID 64986069) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one.

Molecular Properties

Compound Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
PubChem CID64986069
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
SMILESO=C(Cc1nc(C2CCC2)no1)C(F)F
InChIInChI=1S/C9H10F2N2O2/c10-8(11)6(14)4-7-12-9(13-15-7)5-2-1-3-5/h5,8H,1-4H2
InChIKeyQBQAFMQRMOBZNB-UHFFFAOYSA-N
XLogP1.71
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-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 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one?
The IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one (CID 64986069) is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one.
What is the SMILES notation for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one?
The canonical SMILES for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one is O=C(Cc1nc(C2CCC2)no1)C(F)F.
What is the InChIKey of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one?
The InChIKey is QBQAFMQRMOBZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c10-8(11)6(14)4-7-12-9(13-15-7)5-2-1-3-5/h5,8H,1-4H2.
What are the key properties of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one?
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one has a molecular weight of 216.19 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one is sourced from PubChem (CID 64986069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).