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

C11H15F3N2O3 — CID 65333737

IUPAC1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(c1nc(C2CCCOC2)no1)C(O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c1-6(8(17)11(12,13)14)10-15-9(16-19-10)7-3-2-4-18-5-7/h6-8,17H,2-5H2,1H3
InChIKeyILKPOJRIMCFLIM-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.99
Rot. Bonds3

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

1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 65333737) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID65333737
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(c1nc(C2CCCOC2)no1)C(O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c1-6(8(17)11(12,13)14)10-15-9(16-19-10)7-3-2-4-18-5-7/h6-8,17H,2-5H2,1H3
InChIKeyILKPOJRIMCFLIM-UHFFFAOYSA-N
XLogP1.99
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol with MolForge

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Related Compounds

1,1,1-trifluoro-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65334470
1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63744057
2-methoxy-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109266
(1S)-1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565376
3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 65331884
ethyl 2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79474608
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
2,3-dimethyl-2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 65332110
2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 65332273
3-methyl-4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65332440
2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 65329237
N-ethyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329027

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 65333737) is 1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CC(c1nc(C2CCCOC2)no1)C(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is ILKPOJRIMCFLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-6(8(17)11(12,13)14)10-15-9(16-19-10)7-3-2-4-18-5-7/h6-8,17H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 280.25 g/mol, XLogP of 1.99, 3 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-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 65333737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).