2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide

C7H9NO4S — CID 117233314

IUPAC2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1Oc1cnoc1
InChIInChI=1S/C7H9NO4S/c9-13(10)3-1-2-7(13)12-6-4-8-11-5-6/h4-5,7H,1-3H2
InChIKeyFQRDVFALTLNKQC-UHFFFAOYSA-N
MW203.22 g/mol
LogP0.59
Rot. Bonds2

About 2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide

2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide (PubChem CID 117233314) has the molecular formula C7H9NO4S and a molecular weight of 203.22 g/mol. Its IUPAC name is 2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide
PubChem CID117233314
Molecular FormulaC7H9NO4S
Molecular Weight203.22 g/mol
Exact Mass203.03
IUPAC Name2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1Oc1cnoc1
InChIInChI=1S/C7H9NO4S/c9-13(10)3-1-2-7(13)12-6-4-8-11-5-6/h4-5,7H,1-3H2
InChIKeyFQRDVFALTLNKQC-UHFFFAOYSA-N
XLogP0.59
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide?
The IUPAC name of 2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide (CID 117233314) is 2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide?
The canonical SMILES for 2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide is O=S1(=O)CCCC1Oc1cnoc1.
What is the InChIKey of 2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide?
The InChIKey is FQRDVFALTLNKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S/c9-13(10)3-1-2-7(13)12-6-4-8-11-5-6/h4-5,7H,1-3H2.
What are the key properties of 2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide?
2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide has a molecular weight of 203.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-4-yloxy)thiolane 1,1-dioxide is sourced from PubChem (CID 117233314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).