3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole

C8H8N2OS — CID 166103424

IUPAC3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole
SMILESCCc1cc(-c2nccs2)on1
InChIInChI=1S/C8H8N2OS/c1-2-6-5-7(11-10-6)8-9-3-4-12-8/h3-5H,2H2,1H3
InChIKeyOJWGHVCEGITUTH-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.36
Rot. Bonds2

About 3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole

3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole (PubChem CID 166103424) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole
PubChem CID166103424
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole
SMILESCCc1cc(-c2nccs2)on1
InChIInChI=1S/C8H8N2OS/c1-2-6-5-7(11-10-6)8-9-3-4-12-8/h3-5H,2H2,1H3
InChIKeyOJWGHVCEGITUTH-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole?
The IUPAC name of 3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole (CID 166103424) is 3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole is CCc1cc(-c2nccs2)on1.
What is the InChIKey of 3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole?
The InChIKey is OJWGHVCEGITUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-2-6-5-7(11-10-6)8-9-3-4-12-8/h3-5H,2H2,1H3.
What are the key properties of 3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole?
3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole has a molecular weight of 180.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(1,3-thiazol-2-yl)-1,2-oxazole is sourced from PubChem (CID 166103424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).