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

C9H14N2O2S — CID 115078484

IUPAC[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(CC2CCCSC2)n1
InChIInChI=1S/C9H14N2O2S/c12-5-8-10-9(13-11-8)4-7-2-1-3-14-6-7/h7,12H,1-6H2
InChIKeyRDOZQQOHUZYDTF-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.25
Rot. Bonds3

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

[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 115078484) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is [5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID115078484
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(CC2CCCSC2)n1
InChIInChI=1S/C9H14N2O2S/c12-5-8-10-9(13-11-8)4-7-2-1-3-14-6-7/h7,12H,1-6H2
InChIKeyRDOZQQOHUZYDTF-UHFFFAOYSA-N
XLogP1.25
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115078512
3-bromo-5-(thian-3-ylmethyl)-1,2,4-oxadiazole
CID 115078468
N-methyl-3-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078631
3-[3-(thian-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081659
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486
3-piperidin-4-yl-5-(thian-3-ylmethyl)-1,2,4-oxadiazole
CID 115078537
[3-(thian-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 115079916
[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660427
N-methyl-3-[5-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115077404
[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326432
2-[5-[(1,1-dioxothian-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078510
1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115083355

Frequently Asked Questions

What is the IUPAC name of [5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol (CID 115078484) is [5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(CC2CCCSC2)n1.
What is the InChIKey of [5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is RDOZQQOHUZYDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c12-5-8-10-9(13-11-8)4-7-2-1-3-14-6-7/h7,12H,1-6H2.
What are the key properties of [5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 214.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 115078484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).