1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol

C9H9NO2S — CID 44603815

IUPAC1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol
SMILESCC(O)c1cc(-c2cccs2)on1
InChIInChI=1S/C9H9NO2S/c1-6(11)7-5-8(12-10-7)9-3-2-4-13-9/h2-6,11H,1H3
InChIKeyYXEFWZOCGPBALL-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.46
Rot. Bonds2

About 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol

1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol (PubChem CID 44603815) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol
PubChem CID44603815
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol
SMILESCC(O)c1cc(-c2cccs2)on1
InChIInChI=1S/C9H9NO2S/c1-6(11)7-5-8(12-10-7)9-3-2-4-13-9/h2-6,11H,1H3
InChIKeyYXEFWZOCGPBALL-UHFFFAOYSA-N
XLogP2.46
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 115744558
N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71934309
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
(2S)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 61137275
(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 79010933
[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanol
CID 102543890
methyl 3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoate
CID 43422688
N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879446
N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 78121925
1-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanol
CID 69240115
3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol
CID 170887655
N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55609816

Frequently Asked Questions

What is the IUPAC name of 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol?
The IUPAC name of 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol (CID 44603815) is 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol?
The canonical SMILES for 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol is CC(O)c1cc(-c2cccs2)on1.
What is the InChIKey of 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol?
The InChIKey is YXEFWZOCGPBALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-6(11)7-5-8(12-10-7)9-3-2-4-13-9/h2-6,11H,1H3.
What are the key properties of 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol?
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol has a molecular weight of 195.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol is sourced from PubChem (CID 44603815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).