[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate

C15H12FNO5S — CID 8945073

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)N2CCOC2=O)sc2cccc(F)c12
InChIInChI=1S/C15H12FNO5S/c1-8-12-9(16)3-2-4-10(12)23-13(8)14(19)22-7-11(18)17-5-6-21-15(17)20/h2-4H,5-7H2,1H3
InChIKeyUGZJSUYAVCXTQV-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.48
Rot. Bonds3

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate (PubChem CID 8945073) has the molecular formula C15H12FNO5S and a molecular weight of 337.33 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
PubChem CID8945073
Molecular FormulaC15H12FNO5S
Molecular Weight337.33 g/mol
Exact Mass337.04
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)N2CCOC2=O)sc2cccc(F)c12
InChIInChI=1S/C15H12FNO5S/c1-8-12-9(16)3-2-4-10(12)23-13(8)14(19)22-7-11(18)17-5-6-21-15(17)20/h2-4H,5-7H2,1H3
InChIKeyUGZJSUYAVCXTQV-UHFFFAOYSA-N
XLogP2.48
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 9062031
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 9062020
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 9062125
ethyl 1-[2-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 9062022
[2-(tert-butylamino)-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 9062165
[2-(cyclopentylamino)-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 9062074
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 8978514
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 18147554
4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 7129158
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 8886777
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 9062162
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 8627011

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate (CID 8945073) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate is Cc1c(C(=O)OCC(=O)N2CCOC2=O)sc2cccc(F)c12.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate?
The InChIKey is UGZJSUYAVCXTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO5S/c1-8-12-9(16)3-2-4-10(12)23-13(8)14(19)22-7-11(18)17-5-6-21-15(17)20/h2-4H,5-7H2,1H3.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate has a molecular weight of 337.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 8945073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).