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

C8H7NO2S — CID 2776547

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methanol
SMILESOCc1cc(-c2cccs2)on1
InChIInChI=1S/C8H7NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-4,10H,5H2
InChIKeyHUAGDHXVPCSWLD-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.90
Rot. Bonds2

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

(5-thiophen-2-yl-1,2-oxazol-3-yl)methanol (PubChem CID 2776547) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methanol.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methanol
PubChem CID2776547
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methanol
SMILESOCc1cc(-c2cccs2)on1
InChIInChI=1S/C8H7NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-4,10H,5H2
InChIKeyHUAGDHXVPCSWLD-UHFFFAOYSA-N
XLogP1.90
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methanol?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methanol (CID 2776547) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methanol.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methanol?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methanol is OCc1cc(-c2cccs2)on1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methanol?
The InChIKey is HUAGDHXVPCSWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-4,10H,5H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methanol?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methanol has a molecular weight of 181.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methanol is sourced from PubChem (CID 2776547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).