5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one

C11H13NO3S — CID 91193570

IUPAC5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one
SMILESCCc1oc(=O)n(CCc2cccs2)c1O
InChIInChI=1S/C11H13NO3S/c1-2-9-10(13)12(11(14)15-9)6-5-8-4-3-7-16-8/h3-4,7,13H,2,5-6H2,1H3
InChIKeyDPBXNYFHKGHVIB-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.01
Rot. Bonds4

About 5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one

5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one (PubChem CID 91193570) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one
PubChem CID91193570
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one
SMILESCCc1oc(=O)n(CCc2cccs2)c1O
InChIInChI=1S/C11H13NO3S/c1-2-9-10(13)12(11(14)15-9)6-5-8-4-3-7-16-8/h3-4,7,13H,2,5-6H2,1H3
InChIKeyDPBXNYFHKGHVIB-UHFFFAOYSA-N
XLogP2.01
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one?
The IUPAC name of 5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one (CID 91193570) is 5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one?
The canonical SMILES for 5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one is CCc1oc(=O)n(CCc2cccs2)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one?
The InChIKey is DPBXNYFHKGHVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-2-9-10(13)12(11(14)15-9)6-5-8-4-3-7-16-8/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one?
5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one has a molecular weight of 239.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one is sourced from PubChem (CID 91193570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).