3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol

C13H15FN2O2S — CID 66103847

IUPAC3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H15FN2O2S/c1-9(6-17)7-19-8-12-15-16-13(18-12)10-2-4-11(14)5-3-10/h2-5,9,17H,6-8H2,1H3
InChIKeyWTPIMIKDODEFCU-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.74
Rot. Bonds6

About 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol

3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol (PubChem CID 66103847) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol
PubChem CID66103847
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC Name3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H15FN2O2S/c1-9(6-17)7-19-8-12-15-16-13(18-12)10-2-4-11(14)5-3-10/h2-5,9,17H,6-8H2,1H3
InChIKeyWTPIMIKDODEFCU-UHFFFAOYSA-N
XLogP2.74
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66104448
3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-amine
CID 66217802
(2R)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propane-1,2-diol
CID 97078393
4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]butan-2-amine
CID 66234832
4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenol
CID 61032229
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propan-2-ol
CID 62334129
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115666845
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate
CID 25468617
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propan-2-ylaniline
CID 78793132
3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenol
CID 104590388
2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
2-(3-fluorophenyl)-5-(2-propan-2-yloxyethylsulfanylmethyl)-1,3,4-oxadiazole
CID 71926171

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol (CID 66103847) is 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol is CC(CO)CSCc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol?
The InChIKey is WTPIMIKDODEFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c1-9(6-17)7-19-8-12-15-16-13(18-12)10-2-4-11(14)5-3-10/h2-5,9,17H,6-8H2,1H3.
What are the key properties of 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol?
3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol has a molecular weight of 282.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 66103847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).