1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol

C10H15NO2S — CID 115085513

IUPAC1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol
SMILESCC(O)c1cnc(C2CCCSC2)o1
InChIInChI=1S/C10H15NO2S/c1-7(12)9-5-11-10(13-9)8-3-2-4-14-6-8/h5,7-8,12H,2-4,6H2,1H3
InChIKeyHLPZTHGISMTPFK-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.34
Rot. Bonds2

About 1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol

1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol (PubChem CID 115085513) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol
PubChem CID115085513
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol
SMILESCC(O)c1cnc(C2CCCSC2)o1
InChIInChI=1S/C10H15NO2S/c1-7(12)9-5-11-10(13-9)8-3-2-4-14-6-8/h5,7-8,12H,2-4,6H2,1H3
InChIKeyHLPZTHGISMTPFK-UHFFFAOYSA-N
XLogP2.34
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol
CID 115085656
2-(2-cyclobutyl-1,3-oxazol-5-yl)propan-1-ol
CID 115087422
2-(2-cyclopentyl-1,3-oxazol-5-yl)propan-1-ol
CID 115087436
1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol
CID 115085814
2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115021666
1-[2-(thian-4-ylmethyl)-1,3-oxazol-5-yl]ethanol
CID 115085353
2-(2-cyclohexyl-1,3-oxazol-5-yl)propan-1-amine
CID 115087448
2-[2-(thiolan-3-yl)-1,3-oxazol-5-yl]acetic acid
CID 115028315
[2-(thian-3-yl)-1,3-thiazol-5-yl]methanol
CID 115090327
1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115089750
1-[5-(thian-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
CID 105499596
[2-(thian-3-yl)-1,3-oxazol-4-yl]methanol
CID 115082592

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol?
The IUPAC name of 1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol (CID 115085513) is 1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol is CC(O)c1cnc(C2CCCSC2)o1.
What is the InChIKey of 1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol?
The InChIKey is HLPZTHGISMTPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7(12)9-5-11-10(13-9)8-3-2-4-14-6-8/h5,7-8,12H,2-4,6H2,1H3.
What are the key properties of 1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol?
1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol has a molecular weight of 213.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol is sourced from PubChem (CID 115085513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).