1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol

C10H15NO2S — CID 115083037

IUPAC1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol
SMILESCC(O)c1coc(CC2CCCS2)n1
InChIInChI=1S/C10H15NO2S/c1-7(12)9-6-13-10(11-9)5-8-3-2-4-14-8/h6-8,12H,2-5H2,1H3
InChIKeyYPNZZQXOSPLOGW-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.17
Rot. Bonds3

About 1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol

1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol (PubChem CID 115083037) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol
PubChem CID115083037
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol
SMILESCC(O)c1coc(CC2CCCS2)n1
InChIInChI=1S/C10H15NO2S/c1-7(12)9-6-13-10(11-9)5-8-3-2-4-14-8/h6-8,12H,2-5H2,1H3
InChIKeyYPNZZQXOSPLOGW-UHFFFAOYSA-N
XLogP2.17
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115083355
N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083120
[2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083265
2-(thian-2-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115083332
2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol
CID 115083248
2-[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-ol
CID 115083091
2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115083874
2-[2-(thiolan-2-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088655
2-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-ol
CID 115082327
1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081132
1-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115082600
1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115083115

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol (CID 115083037) is 1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol is CC(O)c1coc(CC2CCCS2)n1.
What is the InChIKey of 1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol?
The InChIKey is YPNZZQXOSPLOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7(12)9-6-13-10(11-9)5-8-3-2-4-14-8/h6-8,12H,2-5H2,1H3.
What are the key properties of 1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol?
1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol has a molecular weight of 213.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 115083037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).