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

C6H10N2O4S — CID 102660464

IUPAC[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCC(c1nc(CO)no1)S(C)(=O)=O
InChIInChI=1S/C6H10N2O4S/c1-4(13(2,10)11)6-7-5(3-9)8-12-6/h4,9H,3H2,1-2H3
InChIKeyBTWRPEJKIQMIJM-UHFFFAOYSA-N
MW206.22 g/mol
LogP-0.33
Rot. Bonds3

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

[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660464) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is [5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660464
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCC(c1nc(CO)no1)S(C)(=O)=O
InChIInChI=1S/C6H10N2O4S/c1-4(13(2,10)11)6-7-5(3-9)8-12-6/h4,9H,3H2,1-2H3
InChIKeyBTWRPEJKIQMIJM-UHFFFAOYSA-N
XLogP-0.33
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole
CID 131201821
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104521895
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104521857
(2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 94451312
3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352639
4-methyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 55202198
3-(4-ethylphenyl)-5-[(1R)-1-methylsulfonylethyl]-1,2,4-oxadiazole
CID 99827635
1,1,1-trifluoro-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55230884
[5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660428
N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116633598
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349469
(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263590

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660464) is [5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol is CC(c1nc(CO)no1)S(C)(=O)=O.
What is the InChIKey of [5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is BTWRPEJKIQMIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S/c1-4(13(2,10)11)6-7-5(3-9)8-12-6/h4,9H,3H2,1-2H3.
What are the key properties of [5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 206.22 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).