2-thiophen-2-yl-4H-1,3-oxazol-5-one

C7H5NO2S — CID 20771821

IUPAC2-thiophen-2-yl-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(c2cccs2)O1
InChIInChI=1S/C7H5NO2S/c9-6-4-8-7(10-6)5-2-1-3-11-5/h1-3H,4H2
InChIKeyAEIDYCBANJKKEH-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.05
Rot. Bonds1

About 2-thiophen-2-yl-4H-1,3-oxazol-5-one

2-thiophen-2-yl-4H-1,3-oxazol-5-one (PubChem CID 20771821) has the molecular formula C7H5NO2S and a molecular weight of 167.19 g/mol. Its IUPAC name is 2-thiophen-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-thiophen-2-yl-4H-1,3-oxazol-5-one
PubChem CID20771821
Molecular FormulaC7H5NO2S
Molecular Weight167.19 g/mol
Exact Mass167.00
IUPAC Name2-thiophen-2-yl-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(c2cccs2)O1
InChIInChI=1S/C7H5NO2S/c9-6-4-8-7(10-6)5-2-1-3-11-5/h1-3H,4H2
InChIKeyAEIDYCBANJKKEH-UHFFFAOYSA-N
XLogP1.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-thiophen-2-yl-4H-1,3-oxazol-5-one (CID 20771821) is 2-thiophen-2-yl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-thiophen-2-yl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-thiophen-2-yl-4H-1,3-oxazol-5-one is O=C1CN=C(c2cccs2)O1.
What is the InChIKey of 2-thiophen-2-yl-4H-1,3-oxazol-5-one?
The InChIKey is AEIDYCBANJKKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2S/c9-6-4-8-7(10-6)5-2-1-3-11-5/h1-3H,4H2.
What are the key properties of 2-thiophen-2-yl-4H-1,3-oxazol-5-one?
2-thiophen-2-yl-4H-1,3-oxazol-5-one has a molecular weight of 167.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 20771821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).