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

C10H11NO3S — CID 90817626

IUPAC4-hydroxy-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one
SMILESCc1oc(=O)n(CCc2cccs2)c1O
InChIInChI=1S/C10H11NO3S/c1-7-9(12)11(10(13)14-7)5-4-8-3-2-6-15-8/h2-3,6,12H,4-5H2,1H3
InChIKeyKNZVGZHBHYSFBU-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.76
Rot. Bonds3

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

4-hydroxy-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one (PubChem CID 90817626) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one
PubChem CID90817626
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name4-hydroxy-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one
SMILESCc1oc(=O)n(CCc2cccs2)c1O
InChIInChI=1S/C10H11NO3S/c1-7-9(12)11(10(13)14-7)5-4-8-3-2-6-15-8/h2-3,6,12H,4-5H2,1H3
InChIKeyKNZVGZHBHYSFBU-UHFFFAOYSA-N
XLogP1.76
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one?
The IUPAC name of 4-hydroxy-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one (CID 90817626) is 4-hydroxy-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one is Cc1oc(=O)n(CCc2cccs2)c1O.
What is the InChIKey of 4-hydroxy-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one?
The InChIKey is KNZVGZHBHYSFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-7-9(12)11(10(13)14-7)5-4-8-3-2-6-15-8/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 4-hydroxy-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one?
4-hydroxy-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one has a molecular weight of 225.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-oxazol-2-one is sourced from PubChem (CID 90817626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).