3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one

C10H12ClNO2S — CID 142084298

IUPAC3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one
SMILESCCC1(C)CN(c2ccc(Cl)s2)C(=O)O1
InChIInChI=1S/C10H12ClNO2S/c1-3-10(2)6-12(9(13)14-10)8-5-4-7(11)15-8/h4-5H,3,6H2,1-2H3
InChIKeyFYSQMPMRAZMHRU-UHFFFAOYSA-N
MW245.73 g/mol
LogP3.53
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one

3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one (PubChem CID 142084298) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one
PubChem CID142084298
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one
SMILESCCC1(C)CN(c2ccc(Cl)s2)C(=O)O1
InChIInChI=1S/C10H12ClNO2S/c1-3-10(2)6-12(9(13)14-10)8-5-4-7(11)15-8/h4-5H,3,6H2,1-2H3
InChIKeyFYSQMPMRAZMHRU-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one (CID 142084298) is 3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one is CCC1(C)CN(c2ccc(Cl)s2)C(=O)O1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is FYSQMPMRAZMHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-3-10(2)6-12(9(13)14-10)8-5-4-7(11)15-8/h4-5H,3,6H2,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one?
3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 245.73 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-5-ethyl-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 142084298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).