[2-(thian-4-yl)-1,3-oxazol-4-yl]methanol

C9H13NO2S — CID 115082133

IUPAC[2-(thian-4-yl)-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(C2CCSCC2)n1
InChIInChI=1S/C9H13NO2S/c11-5-8-6-12-9(10-8)7-1-3-13-4-2-7/h6-7,11H,1-5H2
InChIKeyCUGKIYROWVNDNN-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.78
Rot. Bonds2

About [2-(thian-4-yl)-1,3-oxazol-4-yl]methanol

[2-(thian-4-yl)-1,3-oxazol-4-yl]methanol (PubChem CID 115082133) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is [2-(thian-4-yl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(thian-4-yl)-1,3-oxazol-4-yl]methanol
PubChem CID115082133
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name[2-(thian-4-yl)-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(C2CCSCC2)n1
InChIInChI=1S/C9H13NO2S/c11-5-8-6-12-9(10-8)7-1-3-13-4-2-7/h6-7,11H,1-5H2
InChIKeyCUGKIYROWVNDNN-UHFFFAOYSA-N
XLogP1.78
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(thian-3-yl)-1,3-oxazol-4-yl]methanol
CID 115082592
2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115082019
3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115035817
[2-(1,1-dioxothian-4-yl)-1,3-oxazol-4-yl]methanol
CID 115082131
N-methyl-3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082248
[5-(thian-4-yl)-1,2-oxazol-3-yl]methanol
CID 115093882
N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082088
1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
CID 115082089
2-cyclopropyl-4-propyl-1,3-oxazole
CID 89181319
1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one
CID 115082176
2-(2-cyclopentyl-1,3-oxazol-4-yl)ethanamine
CID 115015683
[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]methanol
CID 115082738

Frequently Asked Questions

What is the IUPAC name of [2-(thian-4-yl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-(thian-4-yl)-1,3-oxazol-4-yl]methanol (CID 115082133) is [2-(thian-4-yl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-(thian-4-yl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-(thian-4-yl)-1,3-oxazol-4-yl]methanol is OCc1coc(C2CCSCC2)n1.
What is the InChIKey of [2-(thian-4-yl)-1,3-oxazol-4-yl]methanol?
The InChIKey is CUGKIYROWVNDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c11-5-8-6-12-9(10-8)7-1-3-13-4-2-7/h6-7,11H,1-5H2.
What are the key properties of [2-(thian-4-yl)-1,3-oxazol-4-yl]methanol?
[2-(thian-4-yl)-1,3-oxazol-4-yl]methanol has a molecular weight of 199.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thian-4-yl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 115082133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).