(5-thiophen-3-yl-1,2-oxazol-3-yl) formate

C8H5NO3S — CID 174766364

IUPAC(5-thiophen-3-yl-1,2-oxazol-3-yl) formate
SMILESO=COc1cc(-c2ccsc2)on1
InChIInChI=1S/C8H5NO3S/c10-5-11-8-3-7(12-9-8)6-1-2-13-4-6/h1-5H
InChIKeyGGTUMNQKHVECTO-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.94
Rot. Bonds3

About (5-thiophen-3-yl-1,2-oxazol-3-yl) formate

(5-thiophen-3-yl-1,2-oxazol-3-yl) formate (PubChem CID 174766364) has the molecular formula C8H5NO3S and a molecular weight of 195.20 g/mol. Its IUPAC name is (5-thiophen-3-yl-1,2-oxazol-3-yl) formate.

Molecular Properties

Compound Name(5-thiophen-3-yl-1,2-oxazol-3-yl) formate
PubChem CID174766364
Molecular FormulaC8H5NO3S
Molecular Weight195.20 g/mol
Exact Mass195.00
IUPAC Name(5-thiophen-3-yl-1,2-oxazol-3-yl) formate
SMILESO=COc1cc(-c2ccsc2)on1
InChIInChI=1S/C8H5NO3S/c10-5-11-8-3-7(12-9-8)6-1-2-13-4-6/h1-5H
InChIKeyGGTUMNQKHVECTO-UHFFFAOYSA-N
XLogP1.94
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-3-yl-1,2-oxazol-3-yl) formate?
The IUPAC name of (5-thiophen-3-yl-1,2-oxazol-3-yl) formate (CID 174766364) is (5-thiophen-3-yl-1,2-oxazol-3-yl) formate.
What is the SMILES notation for (5-thiophen-3-yl-1,2-oxazol-3-yl) formate?
The canonical SMILES for (5-thiophen-3-yl-1,2-oxazol-3-yl) formate is O=COc1cc(-c2ccsc2)on1.
What is the InChIKey of (5-thiophen-3-yl-1,2-oxazol-3-yl) formate?
The InChIKey is GGTUMNQKHVECTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3S/c10-5-11-8-3-7(12-9-8)6-1-2-13-4-6/h1-5H.
What are the key properties of (5-thiophen-3-yl-1,2-oxazol-3-yl) formate?
(5-thiophen-3-yl-1,2-oxazol-3-yl) formate has a molecular weight of 195.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-3-yl-1,2-oxazol-3-yl) formate is sourced from PubChem (CID 174766364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).