4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole

C15H15NOS — CID 91488482

IUPAC4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(c2ccc(-c3ccsc3)cc2)=N1
InChIInChI=1S/C15H15NOS/c1-2-14-9-17-15(16-14)12-5-3-11(4-6-12)13-7-8-18-10-13/h3-8,10,14H,2,9H2,1H3
InChIKeyKETVVAFOESSWGH-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.97
Rot. Bonds3

About 4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole

4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 91488482) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID91488482
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(c2ccc(-c3ccsc3)cc2)=N1
InChIInChI=1S/C15H15NOS/c1-2-14-9-17-15(16-14)12-5-3-11(4-6-12)13-7-8-18-10-13/h3-8,10,14H,2,9H2,1H3
InChIKeyKETVVAFOESSWGH-UHFFFAOYSA-N
XLogP3.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole (CID 91488482) is 4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole is CCC1COC(c2ccc(-c3ccsc3)cc2)=N1.
What is the InChIKey of 4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is KETVVAFOESSWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-2-14-9-17-15(16-14)12-5-3-11(4-6-12)13-7-8-18-10-13/h3-8,10,14H,2,9H2,1H3.
What are the key properties of 4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole?
4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 257.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-thiophen-3-ylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 91488482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).