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

C9H12F2N2O2 — CID 64985697

IUPAC3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol
SMILESOC(Cc1nc(C2CCC2)no1)C(F)F
InChIInChI=1S/C9H12F2N2O2/c10-8(11)6(14)4-7-12-9(13-15-7)5-2-1-3-5/h5-6,8,14H,1-4H2
InChIKeyCUXQCPNZRGRSLR-UHFFFAOYSA-N
MW218.20 g/mol
LogP1.51
Rot. Bonds4

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

3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol (PubChem CID 64985697) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol
PubChem CID64985697
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol
SMILESOC(Cc1nc(C2CCC2)no1)C(F)F
InChIInChI=1S/C9H12F2N2O2/c10-8(11)6(14)4-7-12-9(13-15-7)5-2-1-3-5/h5-6,8,14H,1-4H2
InChIKeyCUXQCPNZRGRSLR-UHFFFAOYSA-N
XLogP1.51
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol 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-ol?
The IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol (CID 64985697) is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol is OC(Cc1nc(C2CCC2)no1)C(F)F.
What is the InChIKey of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol?
The InChIKey is CUXQCPNZRGRSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c10-8(11)6(14)4-7-12-9(13-15-7)5-2-1-3-5/h5-6,8,14H,1-4H2.
What are the key properties of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol?
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol has a molecular weight of 218.20 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 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-ol is sourced from PubChem (CID 64985697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).