4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

C10H15F3N2O2 — CID 55201450

IUPAC4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCC(C)C(c1nc(CC(F)(F)F)no1)C(C)O
InChIInChI=1S/C10H15F3N2O2/c1-5(2)8(6(3)16)9-14-7(15-17-9)4-10(11,12)13/h5-6,8,16H,4H2,1-3H3
InChIKeyJMDAOKHJIVAJDU-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.29
Rot. Bonds4

About 4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 55201450) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID55201450
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCC(C)C(c1nc(CC(F)(F)F)no1)C(C)O
InChIInChI=1S/C10H15F3N2O2/c1-5(2)8(6(3)16)9-14-7(15-17-9)4-10(11,12)13/h5-6,8,16H,4H2,1-3H3
InChIKeyJMDAOKHJIVAJDU-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-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 4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 55201450) is 4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is CC(C)C(c1nc(CC(F)(F)F)no1)C(C)O.
What is the InChIKey of 4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is JMDAOKHJIVAJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-5(2)8(6(3)16)9-14-7(15-17-9)4-10(11,12)13/h5-6,8,16H,4H2,1-3H3.
What are the key properties of 4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 252.24 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 55201450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).