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

C6H10N2O2S — CID 65129843

IUPAC[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCCSCc1noc(CO)n1
InChIInChI=1S/C6H10N2O2S/c1-2-11-4-5-7-6(3-9)10-8-5/h9H,2-4H2,1H3
InChIKeyAMKKWDXTUMTETA-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.81
Rot. Bonds4

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

[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 65129843) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is [3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID65129843
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCCSCc1noc(CO)n1
InChIInChI=1S/C6H10N2O2S/c1-2-11-4-5-7-6(3-9)10-8-5/h9H,2-4H2,1H3
InChIKeyAMKKWDXTUMTETA-UHFFFAOYSA-N
XLogP0.81
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65130266
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81072564
[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 65137668
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65130840
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 65129486
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 103157724
5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole
CID 65127613
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 65129726
N-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65130461
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-phenylpropanoic acid
CID 65131137
[2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81318061

Frequently Asked Questions

What is the IUPAC name of [3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol (CID 65129843) is [3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol is CCSCc1noc(CO)n1.
What is the InChIKey of [3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is AMKKWDXTUMTETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-2-11-4-5-7-6(3-9)10-8-5/h9H,2-4H2,1H3.
What are the key properties of [3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 174.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 65129843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).