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

C18H16N2O5S — CID 19356331

IUPACmethyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1sccc1OCC1CN(c2ccc(C#N)cc2)C(=O)O1
InChIInChI=1S/C18H16N2O5S/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,8,10-11H2,1H3
InChIKeyDHBRVVXHHDXZAH-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.74
Rot. Bonds6

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

methyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate (PubChem CID 19356331) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is methyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate
PubChem CID19356331
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Namemethyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1sccc1OCC1CN(c2ccc(C#N)cc2)C(=O)O1
InChIInChI=1S/C18H16N2O5S/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,8,10-11H2,1H3
InChIKeyDHBRVVXHHDXZAH-UHFFFAOYSA-N
XLogP2.74
TPSA88.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[3-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate
CID 57119418
methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356352
4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile
CID 139661686
[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate
CID 150287256
tert-butyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 54276577
tert-butyl 4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]piperidine-1-carboxylate
CID 50992297
methyl 2-[4-[[3-[4-(N'-benzoylcarbamimidoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate
CID 18423296
ethyl 4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-2-carboxylate
CID 19439162
5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide
CID 70251391
(5R)-5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 18646211
1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 19439069
2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid
CID 57056399

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate (CID 19356331) is methyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate is COC(=O)Cc1sccc1OCC1CN(c2ccc(C#N)cc2)C(=O)O1.
What is the InChIKey of methyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate?
The InChIKey is DHBRVVXHHDXZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/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,8,10-11H2,1H3.
What are the key properties of methyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate?
methyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate has a molecular weight of 372.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate is sourced from PubChem (CID 19356331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).