4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C8H14N2O2S — CID 63346150

IUPAC4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCSCc1noc(CCC(C)O)n1
InChIInChI=1S/C8H14N2O2S/c1-6(11)3-4-8-9-7(5-13-2)10-12-8/h6,11H,3-5H2,1-2H3
InChIKeyMTTHJSIRABGOSU-UHFFFAOYSA-N
MW202.28 g/mol
LogP1.25
Rot. Bonds5

About 4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 63346150) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID63346150
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCSCc1noc(CCC(C)O)n1
InChIInChI=1S/C8H14N2O2S/c1-6(11)3-4-8-9-7(5-13-2)10-12-8/h6,11H,3-5H2,1-2H3
InChIKeyMTTHJSIRABGOSU-UHFFFAOYSA-N
XLogP1.25
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62694731
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65093742
4-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345077
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 62691705
1,1,1-trifluoro-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63346056
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 62694108
N-methyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62694112
4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116799790
1,1-difluoro-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63344687
(2R)-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propane-1,2-diol
CID 124755326
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65133793
4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 123592888

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 63346150) is 4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CSCc1noc(CCC(C)O)n1.
What is the InChIKey of 4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is MTTHJSIRABGOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6(11)3-4-8-9-7(5-13-2)10-12-8/h6,11H,3-5H2,1-2H3.
What are the key properties of 4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 202.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 63346150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).