1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol

C7H12N2O4S — CID 103096225

IUPAC1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(CS(C)(=O)=O)n1
InChIInChI=1S/C7H12N2O4S/c1-3-5(10)7-8-6(13-9-7)4-14(2,11)12/h5,10H,3-4H2,1-2H3
InChIKeySOUUUSQHMZHQRQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.06
Rot. Bonds4

About 1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol

1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol (PubChem CID 103096225) has the molecular formula C7H12N2O4S and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
PubChem CID103096225
Molecular FormulaC7H12N2O4S
Molecular Weight220.25 g/mol
Exact Mass220.05
IUPAC Name1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(CS(C)(=O)=O)n1
InChIInChI=1S/C7H12N2O4S/c1-3-5(10)7-8-6(13-9-7)4-14(2,11)12/h5,10H,3-4H2,1-2H3
InChIKeySOUUUSQHMZHQRQ-UHFFFAOYSA-N
XLogP0.06
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 113435589
1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096173
3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 131114260
1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096440
1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704265
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096278
1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096193
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63349793
[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116632837
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660564
N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116633564
1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704321

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol (CID 103096225) is 1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol is CCC(O)c1noc(CS(C)(=O)=O)n1.
What is the InChIKey of 1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The InChIKey is SOUUUSQHMZHQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S/c1-3-5(10)7-8-6(13-9-7)4-14(2,11)12/h5,10H,3-4H2,1-2H3.
What are the key properties of 1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol has a molecular weight of 220.25 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol is sourced from PubChem (CID 103096225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).