1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol

C9H8ClNO2S — CID 115083522

IUPAC1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
SMILESCC(O)c1coc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C9H8ClNO2S/c1-5(12)6-4-13-9(11-6)7-2-3-8(10)14-7/h2-5,12H,1H3
InChIKeyXMICHTUEHQAPOH-UHFFFAOYSA-N
MW229.69 g/mol
LogP3.11
Rot. Bonds2

About 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol

1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol (PubChem CID 115083522) has the molecular formula C9H8ClNO2S and a molecular weight of 229.69 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
PubChem CID115083522
Molecular FormulaC9H8ClNO2S
Molecular Weight229.69 g/mol
Exact Mass229.00
IUPAC Name1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
SMILESCC(O)c1coc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C9H8ClNO2S/c1-5(12)6-4-13-9(11-6)7-2-3-8(10)14-7/h2-5,12H,1H3
InChIKeyXMICHTUEHQAPOH-UHFFFAOYSA-N
XLogP3.11
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol (CID 115083522) is 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol is CC(O)c1coc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol?
The InChIKey is XMICHTUEHQAPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2S/c1-5(12)6-4-13-9(11-6)7-2-3-8(10)14-7/h2-5,12H,1H3.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol?
1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol has a molecular weight of 229.69 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 115083522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).