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

C10H13F3N2O2 — CID 64985914

IUPAC3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
SMILESCC(c1nc(C2CCC2)no1)C(O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-5(7(16)10(11,12)13)9-14-8(15-17-9)6-3-2-4-6/h5-7,16H,2-4H2,1H3
InChIKeyPUMMSDFOOKPZKU-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.36
Rot. Bonds3

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

3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol (PubChem CID 64985914) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
PubChem CID64985914
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
SMILESCC(c1nc(C2CCC2)no1)C(O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-5(7(16)10(11,12)13)9-14-8(15-17-9)6-3-2-4-6/h5-7,16H,2-4H2,1H3
InChIKeyPUMMSDFOOKPZKU-UHFFFAOYSA-N
XLogP2.36
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol (CID 64985914) is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol is CC(c1nc(C2CCC2)no1)C(O)C(F)(F)F.
What is the InChIKey of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol?
The InChIKey is PUMMSDFOOKPZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-5(7(16)10(11,12)13)9-14-8(15-17-9)6-3-2-4-6/h5-7,16H,2-4H2,1H3.
What are the key properties of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol?
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol has a molecular weight of 250.22 g/mol, XLogP of 2.36, 3 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)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 64985914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).