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

C11H17NO2S — CID 115083355

IUPAC1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol
SMILESCC(O)c1coc(CC2CCCSC2)n1
InChIInChI=1S/C11H17NO2S/c1-8(13)10-6-14-11(12-10)5-9-3-2-4-15-7-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyNYUOTVLOPYNLIH-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.41
Rot. Bonds3

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

1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol (PubChem CID 115083355) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol
PubChem CID115083355
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol
SMILESCC(O)c1coc(CC2CCCSC2)n1
InChIInChI=1S/C11H17NO2S/c1-8(13)10-6-14-11(12-10)5-9-3-2-4-15-7-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyNYUOTVLOPYNLIH-UHFFFAOYSA-N
XLogP2.41
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115083037
1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115082429
2-(thian-3-ylmethyl)-1,3-oxazole-4-carbaldehyde
CID 115083368
2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115078512
[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078484
3-bromo-5-(thian-3-ylmethyl)-1,2,4-oxadiazole
CID 115078468
1-[2-(piperidin-4-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115082506
2-[2-(thian-3-ylmethyl)-1,3-oxazol-5-yl]acetic acid
CID 115086422
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115082353
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115082297
1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115082501
N-methyl-3-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078631

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol (CID 115083355) is 1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol is CC(O)c1coc(CC2CCCSC2)n1.
What is the InChIKey of 1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol?
The InChIKey is NYUOTVLOPYNLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(13)10-6-14-11(12-10)5-9-3-2-4-15-7-9/h6,8-9,13H,2-5,7H2,1H3.
What are the key properties of 1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol?
1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol has a molecular weight of 227.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 115083355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).