methyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate

C18H20N2O5S — CID 57119418

IUPACmethyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1sccc1OCC1CN(c2ccc(CN)cc2)C(=O)O1
InChIInChI=1S/C18H20N2O5S/c1-23-17(21)8-16-15(6-7-26-16)24-11-14-10-20(18(22)25-14)13-4-2-12(9-19)3-5-13/h2-7,14H,8-11,19H2,1H3
InChIKeyCDLGJAOQGIIANF-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.33
Rot. Bonds7

About methyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate

methyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate (PubChem CID 57119418) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate
PubChem CID57119418
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1sccc1OCC1CN(c2ccc(CN)cc2)C(=O)O1
InChIInChI=1S/C18H20N2O5S/c1-23-17(21)8-16-15(6-7-26-16)24-11-14-10-20(18(22)25-14)13-4-2-12(9-19)3-5-13/h2-7,14H,8-11,19H2,1H3
InChIKeyCDLGJAOQGIIANF-UHFFFAOYSA-N
XLogP2.33
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate (CID 57119418) is methyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate is COC(=O)Cc1sccc1OCC1CN(c2ccc(CN)cc2)C(=O)O1.
What is the InChIKey of methyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate?
The InChIKey is CDLGJAOQGIIANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-23-17(21)8-16-15(6-7-26-16)24-11-14-10-20(18(22)25-14)13-4-2-12(9-19)3-5-13/h2-7,14H,8-11,19H2,1H3.
What are the key properties of methyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate?
methyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate has a molecular weight of 376.43 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate is sourced from PubChem (CID 57119418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).