2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C11H11FN2O2S — CID 70639306

IUPAC2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1nc(-c2ccc(F)c(S)c2)no1
InChIInChI=1S/C11H11FN2O2S/c1-11(2,15)10-13-9(14-16-10)6-3-4-7(12)8(17)5-6/h3-5,15,17H,1-2H3
InChIKeyRDLLETPQPQHRLA-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.39
Rot. Bonds2

About 2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 70639306) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID70639306
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Name2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1nc(-c2ccc(F)c(S)c2)no1
InChIInChI=1S/C11H11FN2O2S/c1-11(2,15)10-13-9(14-16-10)6-3-4-7(12)8(17)5-6/h3-5,15,17H,1-2H3
InChIKeyRDLLETPQPQHRLA-UHFFFAOYSA-N
XLogP2.39
TPSA59.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-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

Related Compounds

5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol
CID 70639287
2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119948247
4-[5-(2-amino-1,1,1-trifluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810081
2-[3-[3-[(1R)-1-aminoethyl]phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol;hydrochloride
CID 70496410
1-cyclopropyl-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64669679
1,1,1-trifluoro-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79799029
2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylsulfanylpropan-2-ol
CID 57328831
1-[(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxypropyl]-6-methylpyridin-2-one
CID 100659683
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798934
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61267112
2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 129270584
N-[difluoro-[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
CID 140911406

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 70639306) is 2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is CC(C)(O)c1nc(-c2ccc(F)c(S)c2)no1.
What is the InChIKey of 2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is RDLLETPQPQHRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-11(2,15)10-13-9(14-16-10)6-3-4-7(12)8(17)5-6/h3-5,15,17H,1-2H3.
What are the key properties of 2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 254.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-3-sulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 70639306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).