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

C10H15F3N2O2 — CID 79964951

IUPAC2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
SMILESCCC(O)C(C)c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C10H15F3N2O2/c1-3-7(16)6(2)9-14-8(15-17-9)4-5-10(11,12)13/h6-7,16H,3-5H2,1-2H3
InChIKeyKMVRAKRNCQMYEC-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.44
Rot. Bonds5

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

2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol (PubChem CID 79964951) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol.

Molecular Properties

Compound Name2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
PubChem CID79964951
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
SMILESCCC(O)C(C)c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C10H15F3N2O2/c1-3-7(16)6(2)9-14-8(15-17-9)4-5-10(11,12)13/h6-7,16H,3-5H2,1-2H3
InChIKeyKMVRAKRNCQMYEC-UHFFFAOYSA-N
XLogP2.44
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Difluoromethyl)-5-pentan-2-yl-1,2,4-oxadiazole
CID 169625034
1,1,1-Trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 55201449
4-Methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 55201450
1,1,1-Trifluoro-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 55202791
3-(3-Cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol
CID 55202978
1-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 55220293
1,1,1-Trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 55231077
1,1,1-Trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 55231272
3-(3-Butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 55231273
1,1-Difluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63344989
1,1,1-Trifluoro-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63345000
3-[3-[2-(Diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63345079

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The IUPAC name of 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol (CID 79964951) is 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol.
What is the SMILES notation for 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The canonical SMILES for 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol is CCC(O)C(C)c1nc(CCC(F)(F)F)no1.
What is the InChIKey of 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The InChIKey is KMVRAKRNCQMYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-3-7(16)6(2)9-14-8(15-17-9)4-5-10(11,12)13/h6-7,16H,3-5H2,1-2H3.
What are the key properties of 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol has a molecular weight of 252.24 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol is sourced from PubChem (CID 79964951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).