ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate

C14H10FNO3S — CID 81104544

IUPACethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H10FNO3S/c1-2-18-14(17)12-13(19-7-16-12)11-5-8-3-4-9(15)6-10(8)20-11/h3-7H,2H2,1H3
InChIKeyDMYYEQXZLNBYPM-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.87
Rot. Bonds3

About ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate

ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate (PubChem CID 81104544) has the molecular formula C14H10FNO3S and a molecular weight of 291.30 g/mol. Its IUPAC name is ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate
PubChem CID81104544
Molecular FormulaC14H10FNO3S
Molecular Weight291.30 g/mol
Exact Mass291.04
IUPAC Nameethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H10FNO3S/c1-2-18-14(17)12-13(19-7-16-12)11-5-8-3-4-9(15)6-10(8)20-11/h3-7H,2H2,1H3
InChIKeyDMYYEQXZLNBYPM-UHFFFAOYSA-N
XLogP3.87
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate (CID 81104544) is ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1cc2ccc(F)cc2s1.
What is the InChIKey of ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is DMYYEQXZLNBYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3S/c1-2-18-14(17)12-13(19-7-16-12)11-5-8-3-4-9(15)6-10(8)20-11/h3-7H,2H2,1H3.
What are the key properties of ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 291.30 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 81104544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).