[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol

C8H14N2O2S — CID 65137668

IUPAC[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCC(C)(C)SCc1noc(CO)n1
InChIInChI=1S/C8H14N2O2S/c1-8(2,3)13-5-6-9-7(4-11)12-10-6/h11H,4-5H2,1-3H3
InChIKeyFOYSYOYCFZPNLK-UHFFFAOYSA-N
MW202.28 g/mol
LogP1.59
Rot. Bonds3

About [3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol

[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 65137668) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is [3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID65137668
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCC(C)(C)SCc1noc(CO)n1
InChIInChI=1S/C8H14N2O2S/c1-8(2,3)13-5-6-9-7(4-11)12-10-6/h11H,4-5H2,1-3H3
InChIKeyFOYSYOYCFZPNLK-UHFFFAOYSA-N
XLogP1.59
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 65129843
N-[2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 65133677
N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine
CID 65133564
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65133793
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65137889
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 65137887
3-(tert-butylsulfanylmethyl)-5-ethenyl-1,2,4-oxadiazole
CID 65133849
3-(tert-butylsulfanylmethyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655477
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 65138207
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65138258
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904121

Frequently Asked Questions

What is the IUPAC name of [3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol (CID 65137668) is [3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol is CC(C)(C)SCc1noc(CO)n1.
What is the InChIKey of [3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is FOYSYOYCFZPNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-8(2,3)13-5-6-9-7(4-11)12-10-6/h11H,4-5H2,1-3H3.
What are the key properties of [3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 202.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 65137668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).