2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one

C7H6N2O2S — CID 130742405

IUPAC2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one
SMILESO=c1ccon1Cc1cscn1
InChIInChI=1S/C7H6N2O2S/c10-7-1-2-11-9(7)3-6-4-12-5-8-6/h1-2,4-5H,3H2
InChIKeyGLFKDCVZYYRBGU-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.95
Rot. Bonds2

About 2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one

2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one (PubChem CID 130742405) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one
PubChem CID130742405
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one
SMILESO=c1ccon1Cc1cscn1
InChIInChI=1S/C7H6N2O2S/c10-7-1-2-11-9(7)3-6-4-12-5-8-6/h1-2,4-5H,3H2
InChIKeyGLFKDCVZYYRBGU-UHFFFAOYSA-N
XLogP0.95
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one?
The IUPAC name of 2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one (CID 130742405) is 2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one.
What is the SMILES notation for 2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one?
The canonical SMILES for 2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one is O=c1ccon1Cc1cscn1.
What is the InChIKey of 2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one?
The InChIKey is GLFKDCVZYYRBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c10-7-1-2-11-9(7)3-6-4-12-5-8-6/h1-2,4-5H,3H2.
What are the key properties of 2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one?
2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one has a molecular weight of 182.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-one is sourced from PubChem (CID 130742405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).