4-(thiolan-3-ylmethoxy)-1,2-oxazole

C8H11NO2S — CID 117233300

IUPAC4-(thiolan-3-ylmethoxy)-1,2-oxazole
SMILESc1nocc1OCC1CCSC1
InChIInChI=1S/C8H11NO2S/c1-2-12-6-7(1)4-10-8-3-9-11-5-8/h3,5,7H,1-2,4,6H2
InChIKeyKTFBAIMKOQJVAM-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.81
Rot. Bonds3

About 4-(thiolan-3-ylmethoxy)-1,2-oxazole

4-(thiolan-3-ylmethoxy)-1,2-oxazole (PubChem CID 117233300) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-(thiolan-3-ylmethoxy)-1,2-oxazole.

Molecular Properties

Compound Name4-(thiolan-3-ylmethoxy)-1,2-oxazole
PubChem CID117233300
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name4-(thiolan-3-ylmethoxy)-1,2-oxazole
SMILESc1nocc1OCC1CCSC1
InChIInChI=1S/C8H11NO2S/c1-2-12-6-7(1)4-10-8-3-9-11-5-8/h3,5,7H,1-2,4,6H2
InChIKeyKTFBAIMKOQJVAM-UHFFFAOYSA-N
XLogP1.81
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-3-ylmethoxy)-1,2-oxazole?
The IUPAC name of 4-(thiolan-3-ylmethoxy)-1,2-oxazole (CID 117233300) is 4-(thiolan-3-ylmethoxy)-1,2-oxazole.
What is the SMILES notation for 4-(thiolan-3-ylmethoxy)-1,2-oxazole?
The canonical SMILES for 4-(thiolan-3-ylmethoxy)-1,2-oxazole is c1nocc1OCC1CCSC1.
What is the InChIKey of 4-(thiolan-3-ylmethoxy)-1,2-oxazole?
The InChIKey is KTFBAIMKOQJVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-2-12-6-7(1)4-10-8-3-9-11-5-8/h3,5,7H,1-2,4,6H2.
What are the key properties of 4-(thiolan-3-ylmethoxy)-1,2-oxazole?
4-(thiolan-3-ylmethoxy)-1,2-oxazole has a molecular weight of 185.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-3-ylmethoxy)-1,2-oxazole is sourced from PubChem (CID 117233300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).