ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate

C11H11NO3S — CID 171366901

IUPACethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccc(C)s2)n1
InChIInChI=1S/C11H11NO3S/c1-3-14-11(13)8-6-15-10(12-8)9-5-4-7(2)16-9/h4-6H,3H2,1-2H3
InChIKeyVUVOJYBGSIFWCJ-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.89
Rot. Bonds3

About ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate

ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate (PubChem CID 171366901) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
PubChem CID171366901
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Nameethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccc(C)s2)n1
InChIInChI=1S/C11H11NO3S/c1-3-14-11(13)8-6-15-10(12-8)9-5-4-7(2)16-9/h4-6H,3H2,1-2H3
InChIKeyVUVOJYBGSIFWCJ-UHFFFAOYSA-N
XLogP2.89
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate (CID 171366901) is ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-c2ccc(C)s2)n1.
What is the InChIKey of ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is VUVOJYBGSIFWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-3-14-11(13)8-6-15-10(12-8)9-5-4-7(2)16-9/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate?
ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 237.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 171366901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).