1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C11H15F3N2O3 — CID 63744057

IUPAC1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(c1nc(CC2CCCO2)no1)C(O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c1-6(9(17)11(12,13)14)10-15-8(16-19-10)5-7-3-2-4-18-7/h6-7,9,17H,2-5H2,1H3
InChIKeyZYNBRXRFWAPWGE-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.82
Rot. Bonds4

About 1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 63744057) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID63744057
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(c1nc(CC2CCCO2)no1)C(O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c1-6(9(17)11(12,13)14)10-15-8(16-19-10)5-7-3-2-4-18-7/h6-7,9,17H,2-5H2,1H3
InChIKeyZYNBRXRFWAPWGE-UHFFFAOYSA-N
XLogP1.82
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-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 1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 63744057) is 1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CC(c1nc(CC2CCCO2)no1)C(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is ZYNBRXRFWAPWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-6(9(17)11(12,13)14)10-15-8(16-19-10)5-7-3-2-4-18-7/h6-7,9,17H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 280.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 63744057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).