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

C9H13NO2S — CID 115082592

IUPAC[2-(thian-3-yl)-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(C2CCCSC2)n1
InChIInChI=1S/C9H13NO2S/c11-4-8-5-12-9(10-8)7-2-1-3-13-6-7/h5,7,11H,1-4,6H2
InChIKeyDKHMEVGZCKDFOY-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.78
Rot. Bonds2

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

[2-(thian-3-yl)-1,3-oxazol-4-yl]methanol (PubChem CID 115082592) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is [2-(thian-3-yl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(thian-3-yl)-1,3-oxazol-4-yl]methanol
PubChem CID115082592
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name[2-(thian-3-yl)-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(C2CCCSC2)n1
InChIInChI=1S/C9H13NO2S/c11-4-8-5-12-9(10-8)7-2-1-3-13-6-7/h5,7,11H,1-4,6H2
InChIKeyDKHMEVGZCKDFOY-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(thian-4-yl)-1,3-oxazol-4-yl]methanol
CID 115082133
2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115082019
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-(1,1-dioxothian-4-yl)-1,3-oxazol-4-yl]methanol
CID 115082131
[2-(thian-3-yl)-1,3-thiazol-5-yl]methanol
CID 115090327
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
1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine
CID 105459498
3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115035817
1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol
CID 115085513
[2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine
CID 82503935

Frequently Asked Questions

What is the IUPAC name of [2-(thian-3-yl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-(thian-3-yl)-1,3-oxazol-4-yl]methanol (CID 115082592) is [2-(thian-3-yl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-(thian-3-yl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-(thian-3-yl)-1,3-oxazol-4-yl]methanol is OCc1coc(C2CCCSC2)n1.
What is the InChIKey of [2-(thian-3-yl)-1,3-oxazol-4-yl]methanol?
The InChIKey is DKHMEVGZCKDFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c11-4-8-5-12-9(10-8)7-2-1-3-13-6-7/h5,7,11H,1-4,6H2.
What are the key properties of [2-(thian-3-yl)-1,3-oxazol-4-yl]methanol?
[2-(thian-3-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-3-yl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 115082592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).