4-(thian-4-yloxy)-1,2-oxazole

C8H11NO2S — CID 117233296

IUPAC4-(thian-4-yloxy)-1,2-oxazole
SMILESc1nocc1OC1CCSCC1
InChIInChI=1S/C8H11NO2S/c1-3-12-4-2-7(1)11-8-5-9-10-6-8/h5-7H,1-4H2
InChIKeyXYYFYPWZPXZLQY-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.95
Rot. Bonds2

About 4-(thian-4-yloxy)-1,2-oxazole

4-(thian-4-yloxy)-1,2-oxazole (PubChem CID 117233296) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-(thian-4-yloxy)-1,2-oxazole.

Molecular Properties

Compound Name4-(thian-4-yloxy)-1,2-oxazole
PubChem CID117233296
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name4-(thian-4-yloxy)-1,2-oxazole
SMILESc1nocc1OC1CCSCC1
InChIInChI=1S/C8H11NO2S/c1-3-12-4-2-7(1)11-8-5-9-10-6-8/h5-7H,1-4H2
InChIKeyXYYFYPWZPXZLQY-UHFFFAOYSA-N
XLogP1.95
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thian-4-yloxy)-1,2-oxazole?
The IUPAC name of 4-(thian-4-yloxy)-1,2-oxazole (CID 117233296) is 4-(thian-4-yloxy)-1,2-oxazole.
What is the SMILES notation for 4-(thian-4-yloxy)-1,2-oxazole?
The canonical SMILES for 4-(thian-4-yloxy)-1,2-oxazole is c1nocc1OC1CCSCC1.
What is the InChIKey of 4-(thian-4-yloxy)-1,2-oxazole?
The InChIKey is XYYFYPWZPXZLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-3-12-4-2-7(1)11-8-5-9-10-6-8/h5-7H,1-4H2.
What are the key properties of 4-(thian-4-yloxy)-1,2-oxazole?
4-(thian-4-yloxy)-1,2-oxazole has a molecular weight of 185.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thian-4-yloxy)-1,2-oxazole is sourced from PubChem (CID 117233296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).