[5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol

C8H11NO2S — CID 115093479

IUPAC[5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol
SMILESOCc1cnoc1C1CCCS1
InChIInChI=1S/C8H11NO2S/c10-5-6-4-9-11-8(6)7-2-1-3-12-7/h4,7,10H,1-3,5H2
InChIKeyOYBZGNFBEHICFU-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.74
Rot. Bonds2

About [5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol

[5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol (PubChem CID 115093479) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is [5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol
PubChem CID115093479
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name[5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol
SMILESOCc1cnoc1C1CCCS1
InChIInChI=1S/C8H11NO2S/c10-5-6-4-9-11-8(6)7-2-1-3-12-7/h4,7,10H,1-3,5H2
InChIKeyOYBZGNFBEHICFU-UHFFFAOYSA-N
XLogP1.74
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol (CID 115093479) is [5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol is OCc1cnoc1C1CCCS1.
What is the InChIKey of [5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol?
The InChIKey is OYBZGNFBEHICFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c10-5-6-4-9-11-8(6)7-2-1-3-12-7/h4,7,10H,1-3,5H2.
What are the key properties of [5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol?
[5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol has a molecular weight of 185.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 115093479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).