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

C10H15F3N2O2 — CID 55231273

IUPAC3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
SMILESCCC(C)c1noc(C(C)C(O)C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O2/c1-4-5(2)8-14-9(17-15-8)6(3)7(16)10(11,12)13/h5-7,16H,4H2,1-3H3
InChIKeyKFHSCRMWECLYCU-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.61
Rot. Bonds4

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

3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol (PubChem CID 55231273) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
PubChem CID55231273
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
SMILESCCC(C)c1noc(C(C)C(O)C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O2/c1-4-5(2)8-14-9(17-15-8)6(3)7(16)10(11,12)13/h5-7,16H,4H2,1-3H3
InChIKeyKFHSCRMWECLYCU-UHFFFAOYSA-N
XLogP2.61
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol with MolForge

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Related Compounds

3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63716697
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 63743720
1,1,1-trifluoro-3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63744740
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 63744232
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 63717020
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 63718735
1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63744057
3-butan-2-yl-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63771158
2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 79964951
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine
CID 104847428
3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol
CID 107282878

Frequently Asked Questions

What is the IUPAC name of 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol (CID 55231273) is 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol is CCC(C)c1noc(C(C)C(O)C(F)(F)F)n1.
What is the InChIKey of 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol?
The InChIKey is KFHSCRMWECLYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-4-5(2)8-14-9(17-15-8)6(3)7(16)10(11,12)13/h5-7,16H,4H2,1-3H3.
What are the key properties of 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol?
3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol has a molecular weight of 252.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 55231273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).