3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole

C8H8N2OS — CID 174470496

IUPAC3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole
SMILESCC(c1ccon1)c1nccs1
InChIInChI=1S/C8H8N2OS/c1-6(7-2-4-11-10-7)8-9-3-5-12-8/h2-6H,1H3
InChIKeyANRGEHARBKETMW-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.28
Rot. Bonds2

About 3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole

3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole (PubChem CID 174470496) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole
PubChem CID174470496
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole
SMILESCC(c1ccon1)c1nccs1
InChIInChI=1S/C8H8N2OS/c1-6(7-2-4-11-10-7)8-9-3-5-12-8/h2-6H,1H3
InChIKeyANRGEHARBKETMW-UHFFFAOYSA-N
XLogP2.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole?
The IUPAC name of 3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole (CID 174470496) is 3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole.
What is the SMILES notation for 3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole?
The canonical SMILES for 3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole is CC(c1ccon1)c1nccs1.
What is the InChIKey of 3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole?
The InChIKey is ANRGEHARBKETMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-6(7-2-4-11-10-7)8-9-3-5-12-8/h2-6H,1H3.
What are the key properties of 3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole?
3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole has a molecular weight of 180.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole is sourced from PubChem (CID 174470496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).